4-(3-benzoylphenyl)-3-hydroxybutanenitrile

C17H15NO2 — CID 21495682

IUPAC4-(3-benzoylphenyl)-3-hydroxybutanenitrile
SMILESN#CCC(O)Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2/c18-10-9-16(19)12-13-5-4-8-15(11-13)17(20)14-6-2-1-3-7-14/h1-8,11,16,19H,9,12H2
InChIKeyARZOUFIHELWAPR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.73
Rot. Bonds5

About 4-(3-benzoylphenyl)-3-hydroxybutanenitrile

4-(3-benzoylphenyl)-3-hydroxybutanenitrile (PubChem CID 21495682) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3-benzoylphenyl)-3-hydroxybutanenitrile.

Molecular Properties

Compound Name4-(3-benzoylphenyl)-3-hydroxybutanenitrile
PubChem CID21495682
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(3-benzoylphenyl)-3-hydroxybutanenitrile
SMILESN#CCC(O)Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2/c18-10-9-16(19)12-13-5-4-8-15(11-13)17(20)14-6-2-1-3-7-14/h1-8,11,16,19H,9,12H2
InChIKeyARZOUFIHELWAPR-UHFFFAOYSA-N
XLogP2.73
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
3-(3-amino-2-hydroxypropyl)benzoic acid
CID 83442546
1,2-diphenylethanone;diphenylmethanone
CID 141067729
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
2-(4-benzoylphenyl)acetonitrile
CID 12827846
1-(3-benzoylphenyl)propan-2-one;ethane
CID 144625692
[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
CID 101432488
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(3-benzoylphenyl)propane-1-sulfonic acid
CID 142913640
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzoylphenyl)-3-hydroxybutanenitrile?
The IUPAC name of 4-(3-benzoylphenyl)-3-hydroxybutanenitrile (CID 21495682) is 4-(3-benzoylphenyl)-3-hydroxybutanenitrile.
What is the SMILES notation for 4-(3-benzoylphenyl)-3-hydroxybutanenitrile?
The canonical SMILES for 4-(3-benzoylphenyl)-3-hydroxybutanenitrile is N#CCC(O)Cc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-(3-benzoylphenyl)-3-hydroxybutanenitrile?
The InChIKey is ARZOUFIHELWAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c18-10-9-16(19)12-13-5-4-8-15(11-13)17(20)14-6-2-1-3-7-14/h1-8,11,16,19H,9,12H2.
What are the key properties of 4-(3-benzoylphenyl)-3-hydroxybutanenitrile?
4-(3-benzoylphenyl)-3-hydroxybutanenitrile has a molecular weight of 265.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzoylphenyl)-3-hydroxybutanenitrile is sourced from PubChem (CID 21495682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).