[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate

C15H18O3 — CID 11265094

IUPAC[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C/C2CC2)cc1
InChIInChI=1S/C15H18O3/c1-17-14-8-6-13(7-9-14)11-15(16)18-10-2-3-12-4-5-12/h2-3,6-9,12H,4-5,10-11H2,1H3/b3-2+
InChIKeyCYEWNNBSHYNAGR-NSCUHMNNSA-N
MW246.31 g/mol
LogP2.75
Rot. Bonds6

About [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate

[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate (PubChem CID 11265094) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate
PubChem CID11265094
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C/C2CC2)cc1
InChIInChI=1S/C15H18O3/c1-17-14-8-6-13(7-9-14)11-15(16)18-10-2-3-12-4-5-12/h2-3,6-9,12H,4-5,10-11H2,1H3/b3-2+
InChIKeyCYEWNNBSHYNAGR-NSCUHMNNSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate (CID 11265094) is [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC/C=C/C2CC2)cc1.
What is the InChIKey of [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is CYEWNNBSHYNAGR-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-14-8-6-13(7-9-14)11-15(16)18-10-2-3-12-4-5-12/h2-3,6-9,12H,4-5,10-11H2,1H3/b3-2+.
What are the key properties of [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate?
[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 246.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 11265094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).