2-(4-phenylmethoxyphenyl)acetonitrile

C15H13NO — CID 522804

IUPAC2-(4-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChIKeyQKEYZRVDFZDOEP-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-phenylmethoxyphenyl)acetonitrile

2-(4-phenylmethoxyphenyl)acetonitrile (PubChem CID 522804) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)acetonitrile
PubChem CID522804
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(4-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChIKeyQKEYZRVDFZDOEP-UHFFFAOYSA-N
XLogP3.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-phenylmethoxyphenyl)acetonitrile 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

Crisaborole
CID 44591583
4-Propylanisole
CID 7702
4-Methoxybiphenyl
CID 11943
Tyrphostin A1
CID 2063
4-Benzyloxybenzonitrile
CID 561371
4-Methoxybenzonitrile
CID 70129
Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
CID 93218
Benzene, 1,1'-oxybis[4-methyl-
CID 74098
Benzeneacetonitrile, 4-methoxy-
CID 66031
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-phenylmethoxyphenyl)acetonitrile (CID 522804) is 2-(4-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)acetonitrile is N#CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)acetonitrile?
The InChIKey is QKEYZRVDFZDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)acetonitrile?
2-(4-phenylmethoxyphenyl)acetonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 522804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).