2-phenyl-2-phenylmethoxypropanenitrile

C16H15NO — CID 162364617

IUPAC2-phenyl-2-phenylmethoxypropanenitrile
SMILESCC(C#N)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyMRYHJYKUJGDUFN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.64
Rot. Bonds4

About 2-phenyl-2-phenylmethoxypropanenitrile

2-phenyl-2-phenylmethoxypropanenitrile (PubChem CID 162364617) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-phenyl-2-phenylmethoxypropanenitrile.

Molecular Properties

Compound Name2-phenyl-2-phenylmethoxypropanenitrile
PubChem CID162364617
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-phenyl-2-phenylmethoxypropanenitrile
SMILESCC(C#N)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyMRYHJYKUJGDUFN-UHFFFAOYSA-N
XLogP3.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-2-phenylmethoxypropanenitrile 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

methoxy-phenyl-phenylmethoxymethanol
CID 168654991
2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
2-prop-2-enoxypent-3-yn-2-ylbenzene
CID 11321595
[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
2-benzylsulfanyl-2-phenylpropanenitrile
CID 134975922

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylmethoxypropanenitrile?
The IUPAC name of 2-phenyl-2-phenylmethoxypropanenitrile (CID 162364617) is 2-phenyl-2-phenylmethoxypropanenitrile.
What is the SMILES notation for 2-phenyl-2-phenylmethoxypropanenitrile?
The canonical SMILES for 2-phenyl-2-phenylmethoxypropanenitrile is CC(C#N)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylmethoxypropanenitrile?
The InChIKey is MRYHJYKUJGDUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 2-phenyl-2-phenylmethoxypropanenitrile?
2-phenyl-2-phenylmethoxypropanenitrile has a molecular weight of 237.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylmethoxypropanenitrile is sourced from PubChem (CID 162364617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).