ethyl 4-(cyclobutanecarbonyl)benzoate

C14H16O3 — CID 24724122

IUPACethyl 4-(cyclobutanecarbonyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C14H16O3/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10H,2-5H2,1H3
InChIKeyJVGGVLGYEVKWJU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.85
Rot. Bonds4

About ethyl 4-(cyclobutanecarbonyl)benzoate

ethyl 4-(cyclobutanecarbonyl)benzoate (PubChem CID 24724122) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 4-(cyclobutanecarbonyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(cyclobutanecarbonyl)benzoate
PubChem CID24724122
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 4-(cyclobutanecarbonyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C14H16O3/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10H,2-5H2,1H3
InChIKeyJVGGVLGYEVKWJU-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
ethyl 4-(cyclobutanecarboximidoyl)benzoate
CID 90334516
4-hydroxybutyl 4-(cyclononanecarbonyl)benzoate
CID 123269755
ethyl 4-[cyclobutyl(difluoro)methyl]benzoate
CID 69437235
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
ethyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 59576360
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-methylbenzoate;hydrochloride
CID 172804692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclobutanecarbonyl)benzoate?
The IUPAC name of ethyl 4-(cyclobutanecarbonyl)benzoate (CID 24724122) is ethyl 4-(cyclobutanecarbonyl)benzoate.
What is the SMILES notation for ethyl 4-(cyclobutanecarbonyl)benzoate?
The canonical SMILES for ethyl 4-(cyclobutanecarbonyl)benzoate is CCOC(=O)c1ccc(C(=O)C2CCC2)cc1.
What is the InChIKey of ethyl 4-(cyclobutanecarbonyl)benzoate?
The InChIKey is JVGGVLGYEVKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-14(16)12-8-6-11(7-9-12)13(15)10-4-3-5-10/h6-10H,2-5H2,1H3.
What are the key properties of ethyl 4-(cyclobutanecarbonyl)benzoate?
ethyl 4-(cyclobutanecarbonyl)benzoate has a molecular weight of 232.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclobutanecarbonyl)benzoate is sourced from PubChem (CID 24724122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).