ethyl 4-(cyclopentanecarbonyl)benzoate

C15H18O3 — CID 24724161

IUPACethyl 4-(cyclopentanecarbonyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-4-6-11/h7-11H,2-6H2,1H3
InChIKeyXRXNMNKZFZUISU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.24
Rot. Bonds4

About ethyl 4-(cyclopentanecarbonyl)benzoate

ethyl 4-(cyclopentanecarbonyl)benzoate (PubChem CID 24724161) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 4-(cyclopentanecarbonyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(cyclopentanecarbonyl)benzoate
PubChem CID24724161
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 4-(cyclopentanecarbonyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-4-6-11/h7-11H,2-6H2,1H3
InChIKeyXRXNMNKZFZUISU-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

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Related Compounds

ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
ethyl 4-(cyclobutanecarboximidoyl)benzoate
CID 90334516
4-hydroxybutyl 4-(cyclononanecarbonyl)benzoate
CID 123269755
ethyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 59576360
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
ethyl 4-[(R)-cyclohexyl(hydroxy)methyl]benzoate
CID 45112645
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentanecarbonyl)benzoate?
The IUPAC name of ethyl 4-(cyclopentanecarbonyl)benzoate (CID 24724161) is ethyl 4-(cyclopentanecarbonyl)benzoate.
What is the SMILES notation for ethyl 4-(cyclopentanecarbonyl)benzoate?
The canonical SMILES for ethyl 4-(cyclopentanecarbonyl)benzoate is CCOC(=O)c1ccc(C(=O)C2CCCC2)cc1.
What is the InChIKey of ethyl 4-(cyclopentanecarbonyl)benzoate?
The InChIKey is XRXNMNKZFZUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-4-6-11/h7-11H,2-6H2,1H3.
What are the key properties of ethyl 4-(cyclopentanecarbonyl)benzoate?
ethyl 4-(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 4-(cyclopentanecarbonyl)benzoate is sourced from PubChem (CID 24724161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).