1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one

C16H21ClO — CID 146008352

IUPAC1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
SMILESCCc1cc(C(=O)CCC2CCCC2)ccc1Cl
InChIInChI=1S/C16H21ClO/c1-2-13-11-14(8-9-15(13)17)16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDPNWKCDEWOBRGX-UHFFFAOYSA-N
MW264.80 g/mol
LogP5.06
Rot. Bonds5

About 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one

1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one (PubChem CID 146008352) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
PubChem CID146008352
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
SMILESCCc1cc(C(=O)CCC2CCCC2)ccc1Cl
InChIInChI=1S/C16H21ClO/c1-2-13-11-14(8-9-15(13)17)16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDPNWKCDEWOBRGX-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-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

3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
5-bromo-1-(4-chloro-3-ethylphenyl)pentan-1-one
CID 146008336
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562355
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
3-cyclohexyl-1-(7-methylidene-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)propan-1-one
CID 145472183
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one (CID 146008352) is 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one is CCc1cc(C(=O)CCC2CCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one?
The InChIKey is DPNWKCDEWOBRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-2-13-11-14(8-9-15(13)17)16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one?
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one has a molecular weight of 264.80 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 146008352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).