2-benzylphenol

C13H12O — CID 24216

IUPAC2-benzylphenol
SMILESOc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCDMGNVWZXRKJNS-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.98
Rot. Bonds2

About 2-benzylphenol

2-benzylphenol (PubChem CID 24216) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-benzylphenol.

Molecular Properties

Compound Name2-benzylphenol
PubChem CID24216
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-benzylphenol
SMILESOc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCDMGNVWZXRKJNS-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
Chlorophene
CID 8425
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476

Frequently Asked Questions

What is the IUPAC name of 2-benzylphenol?
The IUPAC name of 2-benzylphenol (CID 24216) is 2-benzylphenol.
What is the SMILES notation for 2-benzylphenol?
The canonical SMILES for 2-benzylphenol is Oc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzylphenol?
The InChIKey is CDMGNVWZXRKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 2-benzylphenol?
2-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 2-benzylphenol is sourced from PubChem (CID 24216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).