2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile

C15H13NO2 — CID 70797697

IUPAC2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
SMILESN#CC(OC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14-15,17H
InChIKeyDVBNYYFYJUKPKN-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.96
Rot. Bonds4

About 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile

2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile (PubChem CID 70797697) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
PubChem CID70797697
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
SMILESN#CC(OC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14-15,17H
InChIKeyDVBNYYFYJUKPKN-UHFFFAOYSA-N
XLogP2.96
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile 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

2-(3-hydroxybutan-2-yloxy)-2-phenylacetonitrile
CID 85303765
2-[cyano(phenyl)methoxy]-2-phenoxyacetic acid
CID 70080911
[cyano(phenyl)methoxy]methanedithioic acid
CID 87730336
[(R)-cyano(phenyl)methyl] benzoate
CID 12617356
dimethyl (2R,3R,4R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-4-(hydroxymethyl)pentanedioate
CID 177423283
2-phenyl-2-trimethylsilylperoxyacetonitrile
CID 87211766
[cyano(phenyl)methoxy] methanesulfonate
CID 87211740
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
2-cyclohexyloxy-2-phenylacetonitrile
CID 101349721
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile?
The IUPAC name of 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile (CID 70797697) is 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile.
What is the SMILES notation for 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile?
The canonical SMILES for 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile is N#CC(OC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile?
The InChIKey is DVBNYYFYJUKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-11-14(12-7-3-1-4-8-12)18-15(17)13-9-5-2-6-10-13/h1-10,14-15,17H.
What are the key properties of 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile?
2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile has a molecular weight of 239.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile is sourced from PubChem (CID 70797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).