1-(2-acetyl-3-benzoylphenyl)ethanone

C17H14O3 — CID 19898396

IUPAC1-(2-acetyl-3-benzoylphenyl)ethanone
SMILESCC(=O)c1cccc(C(=O)c2ccccc2)c1C(C)=O
InChIInChI=1S/C17H14O3/c1-11(18)14-9-6-10-15(16(14)12(2)19)17(20)13-7-4-3-5-8-13/h3-10H,1-2H3
InChIKeyPLQHRVKYQVNEEK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-acetyl-3-benzoylphenyl)ethanone

1-(2-acetyl-3-benzoylphenyl)ethanone (PubChem CID 19898396) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-acetyl-3-benzoylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-3-benzoylphenyl)ethanone
PubChem CID19898396
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(2-acetyl-3-benzoylphenyl)ethanone
SMILESCC(=O)c1cccc(C(=O)c2ccccc2)c1C(C)=O
InChIInChI=1S/C17H14O3/c1-11(18)14-9-6-10-15(16(14)12(2)19)17(20)13-7-4-3-5-8-13/h3-10H,1-2H3
InChIKeyPLQHRVKYQVNEEK-UHFFFAOYSA-N
XLogP3.32
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-diacetylphenyl)-2-phenylethane-1,2-dione
CID 54447040
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
2,3-dibenzoylbenzaldehyde
CID 54496315
2-benzoyl-6-phenylbenzoic acid
CID 174388121
acetic acid;diphenylmethanone;hydrate
CID 161284686
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-(2-acetylphenyl)ethanone;methane
CID 158210616

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3-benzoylphenyl)ethanone?
The IUPAC name of 1-(2-acetyl-3-benzoylphenyl)ethanone (CID 19898396) is 1-(2-acetyl-3-benzoylphenyl)ethanone.
What is the SMILES notation for 1-(2-acetyl-3-benzoylphenyl)ethanone?
The canonical SMILES for 1-(2-acetyl-3-benzoylphenyl)ethanone is CC(=O)c1cccc(C(=O)c2ccccc2)c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-3-benzoylphenyl)ethanone?
The InChIKey is PLQHRVKYQVNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(18)14-9-6-10-15(16(14)12(2)19)17(20)13-7-4-3-5-8-13/h3-10H,1-2H3.
What are the key properties of 1-(2-acetyl-3-benzoylphenyl)ethanone?
1-(2-acetyl-3-benzoylphenyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-benzoylphenyl)ethanone is sourced from PubChem (CID 19898396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).