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Home Other Building Blocks [1,1'-Biphenyl]-4-ol, 3,4'-dimethyl-

[1,1'-Biphenyl]-4-ol, 3,4'-dimethyl-

CAS No.:
175136-31-9
Catalog Number:
AG002092
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
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Product Description
Catalog Number:
AG002092
Chemical Name:
[1,1'-Biphenyl]-4-ol, 3,4'-dimethyl-
CAS Number:
175136-31-9
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
MDL Number:
MFCD00218801
IUPAC Name:
2-methyl-4-(4-methylphenyl)phenol
InChI:
InChI=1S/C14H14O/c1-10-3-5-12(6-4-10)13-7-8-14(15)11(2)9-13/h3-9,15H,1-2H3
InChI Key:
BNZOPTDFDBYNAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(c(c1)C)O
Properties
Complexity:
194  
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  
Literature
Title Journal
Finding discriminating structural features by reassembling common building blocks. Journal of medicinal chemistry 20031023
Properties