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4167-73-1,MFCD00096365
Catalog No.:AA0071CO

4167-73-1 | 2-(3-Hydroxy-3-methylbutyl)phenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$234.00   $164.00
- +
5g
98%
in stock  
$734.00   $514.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0071CO
Chemical Name:
2-(3-Hydroxy-3-methylbutyl)phenol
CAS Number:
4167-73-1
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00096365
SMILES:
Oc1ccccc1CCC(O)(C)C
Properties
Computed Properties
 
Complexity:
154  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Jetson,Rachael;Malik,Neha;Luniwal,Amarjit;Chari,Venkatesh;Ratnam,Manohar;Erhardt,Paul[EuropeanJournalofMedicinalChemistry,2013,vol.63,p.104-108]

[2]CurrentPatentAssignee:ORPHAGENPHARMACEUTICALS-WO2021/127250,2021,A1Locationinpatent:Paragraph0107

[3]Teng,Min;Duong,TienT.;Johnson,AlanT.;Klein,ElliottS.;Wang,Liming;Khalifa,Berket;Chandraratna,RoshanthaA.S.[JournalofMedicinalChemistry,1997,vol.40,#16,p.2445-2451]

[4]CurrentPatentAssignee:ELILILLY&CO-US4921982,1990,A

[5]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2011/159297,2011,A1Locationinpatent:Page/Pagecolumn86

[1]Fatope;Abraham[JournalofMedicinalChemistry,1987,vol.30,#11,p.1973-1977]

[1]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2011/159297,2011,A1

[2]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-US2011/313003,2011,A1

[3]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2010/80537,2010,A1

Literature
Quotation Request
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SDS
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Tags:4167-73-1 Molecular Formula|4167-73-1 MDL|4167-73-1 SMILES|4167-73-1 2-(3-Hydroxy-3-methylbutyl)phenol
Catalog No.: AA0071CO
4167-73-1,MFCD00096365
4167-73-1 | 2-(3-Hydroxy-3-methylbutyl)phenol
Pack Size： 1g
Purity： 98%
in stock
$234.00 $164.00
Pack Size： 5g
Purity： 98%
in stock
$734.00 $514.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0071CO
Chemical Name: 2-(3-Hydroxy-3-methylbutyl)phenol
CAS Number: 4167-73-1
Molecular Formula: C11H16O2
Molecular Weight: 180.2435
MDL Number: MFCD00096365
SMILES: Oc1ccccc1CCC(O)(C)C
Properties
Complexity: 154  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 3  
XLogP3: 2.2  
Downstream Synthesis Route
676-58-4    119-84-6    4167-73-1 

[1]Jetson,Rachael;Malik,Neha;Luniwal,Amarjit;Chari,Venkatesh;Ratnam,Manohar;Erhardt,Paul[EuropeanJournalofMedicinalChemistry,2013,vol.63,p.104-108]

[2]CurrentPatentAssignee:ORPHAGENPHARMACEUTICALS-WO2021/127250,2021,A1Locationinpatent:Paragraph0107

[3]Teng,Min;Duong,TienT.;Johnson,AlanT.;Klein,ElliottS.;Wang,Liming;Khalifa,Berket;Chandraratna,RoshanthaA.S.[JournalofMedicinalChemistry,1997,vol.40,#16,p.2445-2451]

[4]CurrentPatentAssignee:ELILILLY&CO-US4921982,1990,A

[5]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2011/159297,2011,A1Locationinpatent:Page/Pagecolumn86

4167-73-1    61370-75-0 

[1]Fatope;Abraham[JournalofMedicinalChemistry,1987,vol.30,#11,p.1973-1977]

4167-73-1    82553-56-8 

[1]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2011/159297,2011,A1

[2]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-US2011/313003,2011,A1

[3]CurrentPatentAssignee:CYMABAYTHERAPEUTICS,INC.-WO2010/80537,2010,A1

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