4-benzylphenol

C13H12O — CID 7563

IUPAC4-benzylphenol
SMILESOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyHJSPWKGEPDZNLK-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.98
Rot. Bonds2

About 4-benzylphenol

4-benzylphenol (PubChem CID 7563) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-benzylphenol.

Molecular Properties

Compound Name4-benzylphenol
PubChem CID7563
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name4-benzylphenol
SMILESOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyHJSPWKGEPDZNLK-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Resveratrol
CID 445154
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017

Frequently Asked Questions

What is the IUPAC name of 4-benzylphenol?
The IUPAC name of 4-benzylphenol (CID 7563) is 4-benzylphenol.
What is the SMILES notation for 4-benzylphenol?
The canonical SMILES for 4-benzylphenol is Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzylphenol?
The InChIKey is HJSPWKGEPDZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 4-benzylphenol?
4-benzylphenol has a molecular weight of 184.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylphenol is sourced from PubChem (CID 7563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).