3-benzoyl-4-phenylcyclopentan-1-one

C18H16O2 — CID 71733706

IUPAC3-benzoyl-4-phenylcyclopentan-1-one
SMILESO=C1CC(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-15-11-16(13-7-3-1-4-8-13)17(12-15)18(20)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKeyMQGHUBZOMAPURI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.63
Rot. Bonds3

About 3-benzoyl-4-phenylcyclopentan-1-one

3-benzoyl-4-phenylcyclopentan-1-one (PubChem CID 71733706) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-benzoyl-4-phenylcyclopentan-1-one.

Molecular Properties

Compound Name3-benzoyl-4-phenylcyclopentan-1-one
PubChem CID71733706
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-benzoyl-4-phenylcyclopentan-1-one
SMILESO=C1CC(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-15-11-16(13-7-3-1-4-8-13)17(12-15)18(20)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKeyMQGHUBZOMAPURI-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzoyl-4-phenylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzoyl-3-phenylcyclohexan-1-one
CID 14273389
methyl 4-(2-benzoyl-5-oxo-3-phenylcyclohexyl)benzoate
CID 102526827
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
(3S,4R)-3-benzoyl-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 45102125
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(4S,5S)-4-benzoyl-5-methyloxolan-2-one
CID 99865015

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-phenylcyclopentan-1-one?
The IUPAC name of 3-benzoyl-4-phenylcyclopentan-1-one (CID 71733706) is 3-benzoyl-4-phenylcyclopentan-1-one.
What is the SMILES notation for 3-benzoyl-4-phenylcyclopentan-1-one?
The canonical SMILES for 3-benzoyl-4-phenylcyclopentan-1-one is O=C1CC(C(=O)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3-benzoyl-4-phenylcyclopentan-1-one?
The InChIKey is MQGHUBZOMAPURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-15-11-16(13-7-3-1-4-8-13)17(12-15)18(20)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2.
What are the key properties of 3-benzoyl-4-phenylcyclopentan-1-one?
3-benzoyl-4-phenylcyclopentan-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-phenylcyclopentan-1-one is sourced from PubChem (CID 71733706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).