ethyl 2-cyclobutylbenzoate

C13H16O2 — CID 106942755

IUPACethyl 2-cyclobutylbenzoate
SMILESCCOC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C13H16O2/c1-2-15-13(14)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyOEJJIEKIZRWRCL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.13
Rot. Bonds3

About ethyl 2-cyclobutylbenzoate

ethyl 2-cyclobutylbenzoate (PubChem CID 106942755) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 2-cyclobutylbenzoate.

Molecular Properties

Compound Nameethyl 2-cyclobutylbenzoate
PubChem CID106942755
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-cyclobutylbenzoate
SMILESCCOC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C13H16O2/c1-2-15-13(14)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyOEJJIEKIZRWRCL-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-cyclopropylbenzoate
CID 118105330
prop-2-enyl 2-cyclohexylbenzoate
CID 175178065
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 3-(2-cyclopropylphenyl)-3-oxopropanoate
CID 170994001
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968
ethyl 4-(2-cyclopropylphenyl)-4-oxobutanoate
CID 79977029
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzoate
CID 135039820
ethyl 3-cyclobutylthiophene-2-carboxylate
CID 165454275
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
2-cyclopentylbenzohydrazide
CID 68852694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutylbenzoate?
The IUPAC name of ethyl 2-cyclobutylbenzoate (CID 106942755) is ethyl 2-cyclobutylbenzoate.
What is the SMILES notation for ethyl 2-cyclobutylbenzoate?
The canonical SMILES for ethyl 2-cyclobutylbenzoate is CCOC(=O)c1ccccc1C1CCC1.
What is the InChIKey of ethyl 2-cyclobutylbenzoate?
The InChIKey is OEJJIEKIZRWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-15-13(14)12-9-4-3-8-11(12)10-6-5-7-10/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of ethyl 2-cyclobutylbenzoate?
ethyl 2-cyclobutylbenzoate has a molecular weight of 204.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclobutylbenzoate is sourced from PubChem (CID 106942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).