2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one

C21H22O3 — CID 12542865

IUPAC2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CC(c2ccccc2)C2CCCC2=O)cc1
InChIInChI=1S/C21H22O3/c1-24-17-12-10-16(11-13-17)21(23)14-19(15-6-3-2-4-7-15)18-8-5-9-20(18)22/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3
InChIKeyPUUSUSYGAAXCPN-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one

2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one (PubChem CID 12542865) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
PubChem CID12542865
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CC(c2ccccc2)C2CCCC2=O)cc1
InChIInChI=1S/C21H22O3/c1-24-17-12-10-16(11-13-17)21(23)14-19(15-6-3-2-4-7-15)18-8-5-9-20(18)22/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3
InChIKeyPUUSUSYGAAXCPN-UHFFFAOYSA-N
XLogP4.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-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

(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 867578
(2S)-2-[(1S)-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one
CID 56839839
(2S)-2-[(1R)-3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 102230840
dibenzyl 2-[2-(4-methoxyphenyl)-2-(2-oxocyclohexyl)ethyl]propanedioate
CID 102390284
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
cis-(2S,6S)-2-[(1S)-3-oxo-1,3-diphenylpropyl]-6-phenylcyclohexan-1-one
CID 102426284
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
dimethyl 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxocyclopentyl]methyl]propanedioate
CID 71500504
2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]-4-(2-methylbutan-2-yl)cyclohexan-1-one
CID 17380236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one?
The IUPAC name of 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one (CID 12542865) is 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one is COc1ccc(C(=O)CC(c2ccccc2)C2CCCC2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one?
The InChIKey is PUUSUSYGAAXCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-24-17-12-10-16(11-13-17)21(23)14-19(15-6-3-2-4-7-15)18-8-5-9-20(18)22/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one?
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one has a molecular weight of 322.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one is sourced from PubChem (CID 12542865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).