ethyl 4-(2-cyclopropylethenyl)benzoate

C14H16O2 — CID 66845963

IUPACethyl 4-(2-cyclopropylethenyl)benzoate
SMILESCCOC(=O)c1ccc(C=CC2CC2)cc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-9-7-12(8-10-13)6-5-11-3-4-11/h5-11H,2-4H2,1H3
InChIKeyBEBVWZSLBIOHGY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.29
Rot. Bonds4

About ethyl 4-(2-cyclopropylethenyl)benzoate

ethyl 4-(2-cyclopropylethenyl)benzoate (PubChem CID 66845963) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-(2-cyclopropylethenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopropylethenyl)benzoate
PubChem CID66845963
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 4-(2-cyclopropylethenyl)benzoate
SMILESCCOC(=O)c1ccc(C=CC2CC2)cc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-9-7-12(8-10-13)6-5-11-3-4-11/h5-11H,2-4H2,1H3
InChIKeyBEBVWZSLBIOHGY-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
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ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
CID 155548244
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
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ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161
ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
ethyl 4-[(E)-2-(3-fluorophenyl)ethenyl]benzoate
CID 138543086

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopropylethenyl)benzoate?
The IUPAC name of ethyl 4-(2-cyclopropylethenyl)benzoate (CID 66845963) is ethyl 4-(2-cyclopropylethenyl)benzoate.
What is the SMILES notation for ethyl 4-(2-cyclopropylethenyl)benzoate?
The canonical SMILES for ethyl 4-(2-cyclopropylethenyl)benzoate is CCOC(=O)c1ccc(C=CC2CC2)cc1.
What is the InChIKey of ethyl 4-(2-cyclopropylethenyl)benzoate?
The InChIKey is BEBVWZSLBIOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)13-9-7-12(8-10-13)6-5-11-3-4-11/h5-11H,2-4H2,1H3.
What are the key properties of ethyl 4-(2-cyclopropylethenyl)benzoate?
ethyl 4-(2-cyclopropylethenyl)benzoate has a molecular weight of 216.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclopropylethenyl)benzoate is sourced from PubChem (CID 66845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).