3-(2-benzoylphenyl)butan-2-one

C17H16O2 — CID 69061840

IUPAC3-(2-benzoylphenyl)butan-2-one
SMILESCC(=O)C(C)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-12(13(2)18)15-10-6-7-11-16(15)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyQGCGDBRUOYIYDI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.61
Rot. Bonds4

About 3-(2-benzoylphenyl)butan-2-one

3-(2-benzoylphenyl)butan-2-one (PubChem CID 69061840) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2-benzoylphenyl)butan-2-one.

Molecular Properties

Compound Name3-(2-benzoylphenyl)butan-2-one
PubChem CID69061840
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-(2-benzoylphenyl)butan-2-one
SMILESCC(=O)C(C)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-12(13(2)18)15-10-6-7-11-16(15)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyQGCGDBRUOYIYDI-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-acetylphenyl)butan-2-one
CID 171562891
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
2-[2-(2-acetyloxybenzoyl)phenyl]propanoic acid
CID 68528667
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone
CID 57243975
3-(3-benzoyl-2-methyl-1H-indol-4-yl)butan-2-one
CID 70575948
(2-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
3-(2-fluorophenyl)butan-2-one
CID 66436572
methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
CID 171865066
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzoylphenyl)butan-2-one?
The IUPAC name of 3-(2-benzoylphenyl)butan-2-one (CID 69061840) is 3-(2-benzoylphenyl)butan-2-one.
What is the SMILES notation for 3-(2-benzoylphenyl)butan-2-one?
The canonical SMILES for 3-(2-benzoylphenyl)butan-2-one is CC(=O)C(C)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 3-(2-benzoylphenyl)butan-2-one?
The InChIKey is QGCGDBRUOYIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12(13(2)18)15-10-6-7-11-16(15)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 3-(2-benzoylphenyl)butan-2-one?
3-(2-benzoylphenyl)butan-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzoylphenyl)butan-2-one is sourced from PubChem (CID 69061840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).