[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate

C15H18O3 — CID 21495514

IUPAC[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate
SMILESCCOc1ccc(/C=C/COC(=O)C2CC2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-14-9-5-12(6-10-14)4-3-11-18-15(16)13-7-8-13/h3-6,9-10,13H,2,7-8,11H2,1H3/b4-3+
InChIKeyAWIXNJJTIUGNTA-ONEGZZNKSA-N
MW246.31 g/mol
LogP3.05
Rot. Bonds6

About [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate

[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate (PubChem CID 21495514) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate
PubChem CID21495514
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate
SMILESCCOc1ccc(/C=C/COC(=O)C2CC2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-14-9-5-12(6-10-14)4-3-11-18-15(16)13-7-8-13/h3-6,9-10,13H,2,7-8,11H2,1H3/b4-3+
InChIKeyAWIXNJJTIUGNTA-ONEGZZNKSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54275232
5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167976497
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate?
The IUPAC name of [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate (CID 21495514) is [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate.
What is the SMILES notation for [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate?
The canonical SMILES for [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate is CCOc1ccc(/C=C/COC(=O)C2CC2)cc1.
What is the InChIKey of [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate?
The InChIKey is AWIXNJJTIUGNTA-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-14-9-5-12(6-10-14)4-3-11-18-15(16)13-7-8-13/h3-6,9-10,13H,2,7-8,11H2,1H3/b4-3+.
What are the key properties of [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate?
[(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate has a molecular weight of 246.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-ethoxyphenyl)prop-2-enyl] cyclopropanecarboxylate is sourced from PubChem (CID 21495514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).