(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile

C15H13NO2 — CID 174733563

IUPAC(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
SMILESCOc1ccc(O[C@@H](C#N)c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c1-17-13-7-9-14(10-8-13)18-15(11-16)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1
InChIKeyIPBTWQZHZVTSCQ-HNNXBMFYSA-N
MW239.27 g/mol
LogP3.34
Rot. Bonds4

About (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile

(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile (PubChem CID 174733563) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
PubChem CID174733563
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
SMILESCOc1ccc(O[C@@H](C#N)c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c1-17-13-7-9-14(10-8-13)18-15(11-16)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1
InChIKeyIPBTWQZHZVTSCQ-HNNXBMFYSA-N
XLogP3.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-methoxyphenoxy)-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

(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
CID 174633884
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
CID 129319703
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
CID 135066400
anisole;cyanic acid
CID 174663500
N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
CID 20524365

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile (CID 174733563) is (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile is COc1ccc(O[C@@H](C#N)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile?
The InChIKey is IPBTWQZHZVTSCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-13-7-9-14(10-8-13)18-15(11-16)12-5-3-2-4-6-12/h2-10,15H,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile?
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile is sourced from PubChem (CID 174733563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).