2-benzoyl-4-methyl-3-phenylcyclobutan-1-one

C18H16O2 — CID 20723879

IUPAC2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
SMILESCC1C(=O)C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H16O2/c1-12-15(13-8-4-2-5-9-13)16(17(12)19)18(20)14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeySGSASCQKHZJELC-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.49
Rot. Bonds3

About 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one

2-benzoyl-4-methyl-3-phenylcyclobutan-1-one (PubChem CID 20723879) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one.

Molecular Properties

Compound Name2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
PubChem CID20723879
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
SMILESCC1C(=O)C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H16O2/c1-12-15(13-8-4-2-5-9-13)16(17(12)19)18(20)14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeySGSASCQKHZJELC-UHFFFAOYSA-N
XLogP3.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
phenyl-[(1S,4S,5S)-2,4,5-triphenylcyclopent-2-en-1-yl]methanone
CID 23270729
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
CID 10849287
(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
CID 24977107
[(3S,4S,5S)-1,5-dimethyl-4,6-diphenyl-2,3,4,5-tetrahydropyridin-1-ium-3-yl]-phenylmethanone
CID 7232930
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one?
The IUPAC name of 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one (CID 20723879) is 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one.
What is the SMILES notation for 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one?
The canonical SMILES for 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one is CC1C(=O)C(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one?
The InChIKey is SGSASCQKHZJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12-15(13-8-4-2-5-9-13)16(17(12)19)18(20)14-10-6-3-7-11-14/h2-12,15-16H,1H3.
What are the key properties of 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one?
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-methyl-3-phenylcyclobutan-1-one is sourced from PubChem (CID 20723879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).