3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one

C15H19FO2 — CID 43474035

IUPAC3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCC2)cc1F
InChIInChI=1S/C15H19FO2/c1-18-15-9-7-12(10-13(15)16)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3
InChIKeyFDFDHWSHBQSJNR-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.99
Rot. Bonds5

About 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one

3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 43474035) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID43474035
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCC2)cc1F
InChIInChI=1S/C15H19FO2/c1-18-15-9-7-12(10-13(15)16)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3
InChIKeyFDFDHWSHBQSJNR-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]cyclooctane-1-carboxylic acid
CID 120688810
1-(4-cyclohexylpiperazin-1-yl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 18456270
1-(3-aminopiperidin-1-yl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119378228
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 43474035) is 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCC2CCCC2)cc1F.
What is the InChIKey of 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is FDFDHWSHBQSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-18-15-9-7-12(10-13(15)16)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3.
What are the key properties of 3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 250.31 g/mol, XLogP of 3.99, 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-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43474035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).