3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one

C16H22O2 — CID 114192912

IUPAC3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCC2CCCC2)ccc1C
InChIInChI=1S/C16H22O2/c1-12-7-9-14(11-16(12)18-2)15(17)10-8-13-5-3-4-6-13/h7,9,11,13H,3-6,8,10H2,1-2H3
InChIKeyBFSNQUVMHMUARZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.16
Rot. Bonds5

About 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one

3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one (PubChem CID 114192912) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
PubChem CID114192912
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCC2CCCC2)ccc1C
InChIInChI=1S/C16H22O2/c1-12-7-9-14(11-16(12)18-2)15(17)10-8-13-5-3-4-6-13/h7,9,11,13H,3-6,8,10H2,1-2H3
InChIKeyBFSNQUVMHMUARZ-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-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

2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562355
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
1-(3-methoxy-4-methylphenyl)pent-4-en-1-one
CID 114974988
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
4-(3-methoxy-4-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727267

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one (CID 114192912) is 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one is COc1cc(C(=O)CCC2CCCC2)ccc1C.
What is the InChIKey of 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one?
The InChIKey is BFSNQUVMHMUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-7-9-14(11-16(12)18-2)15(17)10-8-13-5-3-4-6-13/h7,9,11,13H,3-6,8,10H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one?
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one is sourced from PubChem (CID 114192912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).