2-(4-benzoylphenyl)acetonitrile

C15H11NO — CID 12827846

IUPAC2-(4-benzoylphenyl)acetonitrile
SMILESN#CCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11NO/c16-11-10-12-6-8-14(9-7-12)15(17)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyICHCUXZCEQWBNV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-benzoylphenyl)acetonitrile

2-(4-benzoylphenyl)acetonitrile (PubChem CID 12827846) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzoylphenyl)acetonitrile
PubChem CID12827846
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-(4-benzoylphenyl)acetonitrile
SMILESN#CCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11NO/c16-11-10-12-6-8-14(9-7-12)15(17)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyICHCUXZCEQWBNV-UHFFFAOYSA-N
XLogP2.98
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2-phenylacetonitrile
CID 67811992
5-(4-benzoylphenyl)pentanenitrile
CID 46197508
disodium;diphenylmethanone
CID 19380838
diphenylmethanone
CID 3102
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
2-(4-benzoylanilino)acetonitrile
CID 57025219
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
2-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]acetonitrile
CID 60623998
2-phenoxyethyl 4-(cyanomethyl)benzoate
CID 82179689
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)acetonitrile?
The IUPAC name of 2-(4-benzoylphenyl)acetonitrile (CID 12827846) is 2-(4-benzoylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-benzoylphenyl)acetonitrile?
The canonical SMILES for 2-(4-benzoylphenyl)acetonitrile is N#CCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)acetonitrile?
The InChIKey is ICHCUXZCEQWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-11-10-12-6-8-14(9-7-12)15(17)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(4-benzoylphenyl)acetonitrile?
2-(4-benzoylphenyl)acetonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)acetonitrile is sourced from PubChem (CID 12827846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).