ethyl 2-cyclopropylbenzoate

C12H14O2 — CID 118105330

IUPACethyl 2-cyclopropylbenzoate
SMILESCCOC(=O)c1ccccc1C1CC1
InChIInChI=1S/C12H14O2/c1-2-14-12(13)11-6-4-3-5-10(11)9-7-8-9/h3-6,9H,2,7-8H2,1H3
InChIKeyRHTNCXFAIMVRSW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.74
Rot. Bonds3

About ethyl 2-cyclopropylbenzoate

ethyl 2-cyclopropylbenzoate (PubChem CID 118105330) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 2-cyclopropylbenzoate.

Molecular Properties

Compound Nameethyl 2-cyclopropylbenzoate
PubChem CID118105330
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-cyclopropylbenzoate
SMILESCCOC(=O)c1ccccc1C1CC1
InChIInChI=1S/C12H14O2/c1-2-14-12(13)11-6-4-3-5-10(11)9-7-8-9/h3-6,9H,2,7-8H2,1H3
InChIKeyRHTNCXFAIMVRSW-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-cyclobutylbenzoate
CID 106942755
ethyl 3-(2-cyclopropylphenyl)-3-oxopropanoate
CID 170994001
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CID 154139708
ethyl 4-(2-cyclopropylphenyl)-4-oxobutanoate
CID 79977029
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
ethyl 2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzoate
CID 135039820
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
prop-2-enyl 2-cyclohexylbenzoate
CID 175178065
2-cyclopropylbenzohydrazide
CID 168909064
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropylbenzoate?
The IUPAC name of ethyl 2-cyclopropylbenzoate (CID 118105330) is ethyl 2-cyclopropylbenzoate.
What is the SMILES notation for ethyl 2-cyclopropylbenzoate?
The canonical SMILES for ethyl 2-cyclopropylbenzoate is CCOC(=O)c1ccccc1C1CC1.
What is the InChIKey of ethyl 2-cyclopropylbenzoate?
The InChIKey is RHTNCXFAIMVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-14-12(13)11-6-4-3-5-10(11)9-7-8-9/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 2-cyclopropylbenzoate?
ethyl 2-cyclopropylbenzoate has a molecular weight of 190.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropylbenzoate is sourced from PubChem (CID 118105330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).