3-[2-(hydroxymethyl)phenyl]benzonitrile

C14H11NO — CID 1392149

IUPAC3-[2-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C14H11NO/c15-9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-16/h1-8,16H,10H2
InChIKeyJVSNEWCAIIIGPC-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.72
Rot. Bonds2

About 3-[2-(hydroxymethyl)phenyl]benzonitrile

3-[2-(hydroxymethyl)phenyl]benzonitrile (PubChem CID 1392149) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)phenyl]benzonitrile
PubChem CID1392149
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-[2-(hydroxymethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C14H11NO/c15-9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-16/h1-8,16H,10H2
InChIKeyJVSNEWCAIIIGPC-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
[2-(3-bromophenyl)phenyl]methanol
CID 1393420
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431
[4-[2-[2-(3-cyanophenyl)phenyl]phenyl]-3-phenylphenyl]boronic acid
CID 176582723
3-[16-(3-cyanophenyl)-23-phenyl-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaenyl]benzonitrile
CID 118267907
2-[2,5-bis(3-cyanophenyl)-4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 118121428
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791
3-[2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile
CID 89027034
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-(1-benzothiophen-3-yl)benzonitrile
CID 3358914

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)phenyl]benzonitrile?
The IUPAC name of 3-[2-(hydroxymethyl)phenyl]benzonitrile (CID 1392149) is 3-[2-(hydroxymethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-(hydroxymethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-(hydroxymethyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccccc2CO)c1.
What is the InChIKey of 3-[2-(hydroxymethyl)phenyl]benzonitrile?
The InChIKey is JVSNEWCAIIIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-16/h1-8,16H,10H2.
What are the key properties of 3-[2-(hydroxymethyl)phenyl]benzonitrile?
3-[2-(hydroxymethyl)phenyl]benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)phenyl]benzonitrile is sourced from PubChem (CID 1392149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).