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876473-46-0,MFCD00001659
Catalog No.:AA00IEMR
876473-46-0 | 2-methyl-4-(2-methylphenyl)phenol
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Technical Information
Catalog Number:
AA00IEMR
Chemical Name:
2-methyl-4-(2-methylphenyl)phenol
CAS Number:
876473-46-0
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
MDL Number:
MFCD00001659
IUPAC Name:
2-methyl-4-(2-methylphenyl)phenol
InChI:
InChI=1S/C14H14O/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9,15H,1-2H3
InChI Key:
YAIFKUYPOJMOFS-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1O)c1ccccc1C
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
2-methyl-4-(2-methylphenyl)phenol 
4-(2-METHYLPHENYL)-2-METHYLPHENOL 
876473-46-0 
SCHEMBL11037218 
DTXSID70683667 
MFCD17677597 
AKOS017518613 
2',3-Dimethyl[1,1'-biphenyl]-4-ol 
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