2-methoxy-2-(4-phenylphenyl)acetonitrile

C15H13NO — CID 66070699

IUPAC2-methoxy-2-(4-phenylphenyl)acetonitrile
SMILESCOC(C#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-17-15(11-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3
InChIKeyHWNXOGASOQPZPS-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.56
Rot. Bonds3

About 2-methoxy-2-(4-phenylphenyl)acetonitrile

2-methoxy-2-(4-phenylphenyl)acetonitrile (PubChem CID 66070699) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methoxy-2-(4-phenylphenyl)acetonitrile.

Molecular Properties

Compound Name2-methoxy-2-(4-phenylphenyl)acetonitrile
PubChem CID66070699
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-methoxy-2-(4-phenylphenyl)acetonitrile
SMILESCOC(C#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-17-15(11-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3
InChIKeyHWNXOGASOQPZPS-UHFFFAOYSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile
CID 95566900
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
CID 79136873
2-(3,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070290
[(R)-cyano-(4-methylphenyl)methyl] (2R)-2-methoxy-2-phenylacetate
CID 102182407
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
(2S)-2-methoxy-2-(2-methylphenyl)acetonitrile
CID 97030932
bis(acetonitrile);1,1'-biphenyl
CID 175366291
1,1'-biphenyl;methoxyphosphane
CID 69051753
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-(2-bromophenyl)-2-methoxyacetonitrile
CID 66070289

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(4-phenylphenyl)acetonitrile?
The IUPAC name of 2-methoxy-2-(4-phenylphenyl)acetonitrile (CID 66070699) is 2-methoxy-2-(4-phenylphenyl)acetonitrile.
What is the SMILES notation for 2-methoxy-2-(4-phenylphenyl)acetonitrile?
The canonical SMILES for 2-methoxy-2-(4-phenylphenyl)acetonitrile is COC(C#N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methoxy-2-(4-phenylphenyl)acetonitrile?
The InChIKey is HWNXOGASOQPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-17-15(11-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3.
What are the key properties of 2-methoxy-2-(4-phenylphenyl)acetonitrile?
2-methoxy-2-(4-phenylphenyl)acetonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(4-phenylphenyl)acetonitrile is sourced from PubChem (CID 66070699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).