3-[hydroxy(phenyl)methyl]benzonitrile

C14H11NO — CID 19003636

IUPAC3-[hydroxy(phenyl)methyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C14H11NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9,14,16H
InChIKeyBIWIUOMRUCYPSI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds2

About 3-[hydroxy(phenyl)methyl]benzonitrile

3-[hydroxy(phenyl)methyl]benzonitrile (PubChem CID 19003636) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]benzonitrile
PubChem CID19003636
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-[hydroxy(phenyl)methyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C14H11NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9,14,16H
InChIKeyBIWIUOMRUCYPSI-UHFFFAOYSA-N
XLogP2.64
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[hydroxy(phenyl)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
CID 115481118
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
3-[(1S)-1-phenylethyl]benzonitrile
CID 118361851
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]benzonitrile
CID 115481066
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(hydroxy)methyl]benzonitrile
CID 115481169
3-[(1R)-1-hydroxypropyl]benzonitrile
CID 71419733
phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 18957452

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]benzonitrile?
The IUPAC name of 3-[hydroxy(phenyl)methyl]benzonitrile (CID 19003636) is 3-[hydroxy(phenyl)methyl]benzonitrile.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]benzonitrile?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]benzonitrile is N#Cc1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]benzonitrile?
The InChIKey is BIWIUOMRUCYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9,14,16H.
What are the key properties of 3-[hydroxy(phenyl)methyl]benzonitrile?
3-[hydroxy(phenyl)methyl]benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]benzonitrile is sourced from PubChem (CID 19003636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).