3-(4-methoxyphenyl)cyclopentan-1-one

C12H14O2 — CID 14090910

IUPAC3-(4-methoxyphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C12H14O2/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10/h3-4,6-7,10H,2,5,8H2,1H3
InChIKeyBXVGGHJBRCDSGU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.53
Rot. Bonds2

About 3-(4-methoxyphenyl)cyclopentan-1-one

3-(4-methoxyphenyl)cyclopentan-1-one (PubChem CID 14090910) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)cyclopentan-1-one
PubChem CID14090910
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(4-methoxyphenyl)cyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2)cc1
InChIInChI=1S/C12H14O2/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10/h3-4,6-7,10H,2,5,8H2,1H3
InChIKeyBXVGGHJBRCDSGU-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)cyclopentan-1-one (CID 14090910) is 3-(4-methoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)cyclopentan-1-one is COc1ccc(C2CCC(=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)cyclopentan-1-one?
The InChIKey is BXVGGHJBRCDSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10/h3-4,6-7,10H,2,5,8H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)cyclopentan-1-one?
3-(4-methoxyphenyl)cyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 14090910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).