4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile

C15H11NO2 — CID 148916295

IUPAC4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H11NO2/c16-10-12-7-5-11(6-8-12)9-15(18)13-3-1-2-4-14(13)17/h1-8,17H,9H2
InChIKeyPJPVYKLHUHYIRQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.69
Rot. Bonds3

About 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile

4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile (PubChem CID 148916295) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile
PubChem CID148916295
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H11NO2/c16-10-12-7-5-11(6-8-12)9-15(18)13-3-1-2-4-14(13)17/h1-8,17H,9H2
InChIKeyPJPVYKLHUHYIRQ-UHFFFAOYSA-N
XLogP2.69
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723938
2-[4-(hydroxymethyl)phenyl]-1-(2-hydroxyphenyl)ethanone
CID 161011809
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
4-(2-oxobut-3-enyl)benzonitrile
CID 142778035
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
4-[2-oxo-2-[2-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]ethyl]benzonitrile
CID 167573454
4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile
CID 155934136
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2371734
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 19931724

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile?
The IUPAC name of 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile (CID 148916295) is 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile is N#Cc1ccc(CC(=O)c2ccccc2O)cc1.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile?
The InChIKey is PJPVYKLHUHYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-10-12-7-5-11(6-8-12)9-15(18)13-3-1-2-4-14(13)17/h1-8,17H,9H2.
What are the key properties of 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile?
4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile is sourced from PubChem (CID 148916295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).