ethyl 3-(cyclopentanecarbonyl)benzoate

C15H18O3 — CID 24724160

IUPACethyl 3-(cyclopentanecarbonyl)benzoate
SMILESCCOC(=O)c1cccc(C(=O)C2CCCC2)c1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-5-8-12(10-13)14(16)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyHHMOPHMRZDDIKF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.24
Rot. Bonds4

About ethyl 3-(cyclopentanecarbonyl)benzoate

ethyl 3-(cyclopentanecarbonyl)benzoate (PubChem CID 24724160) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 3-(cyclopentanecarbonyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentanecarbonyl)benzoate
PubChem CID24724160
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 3-(cyclopentanecarbonyl)benzoate
SMILESCCOC(=O)c1cccc(C(=O)C2CCCC2)c1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-5-8-12(10-13)14(16)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyHHMOPHMRZDDIKF-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(cyclopentanecarbonyl)benzoate 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

ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
ethyl 3-acetylbenzoate
CID 11298463
ethyl 3-[(1R,2S)-2-methylcyclohexyl]benzoate
CID 58617185
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
ethyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 59576360
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
3-O-(4-tert-butylcyclohexyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91732085
(3-tert-butylphenyl)-cyclopentylmethanone
CID 146005494

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentanecarbonyl)benzoate?
The IUPAC name of ethyl 3-(cyclopentanecarbonyl)benzoate (CID 24724160) is ethyl 3-(cyclopentanecarbonyl)benzoate.
What is the SMILES notation for ethyl 3-(cyclopentanecarbonyl)benzoate?
The canonical SMILES for ethyl 3-(cyclopentanecarbonyl)benzoate is CCOC(=O)c1cccc(C(=O)C2CCCC2)c1.
What is the InChIKey of ethyl 3-(cyclopentanecarbonyl)benzoate?
The InChIKey is HHMOPHMRZDDIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-15(17)13-9-5-8-12(10-13)14(16)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of ethyl 3-(cyclopentanecarbonyl)benzoate?
ethyl 3-(cyclopentanecarbonyl)benzoate has a molecular weight of 246.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentanecarbonyl)benzoate is sourced from PubChem (CID 24724160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).