4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate

C15H18O3 — CID 146652816

IUPAC4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
SMILESC=C(CCOC/C=C/c1ccccc1)OC(C)=O
InChIInChI=1S/C15H18O3/c1-13(18-14(2)16)10-12-17-11-6-9-15-7-4-3-5-8-15/h3-9H,1,10-12H2,2H3/b9-6+
InChIKeyGDDBODGEEUHICM-RMKNXTFCSA-N
MW246.31 g/mol
LogP3.18
Rot. Bonds7

About 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate

4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate (PubChem CID 146652816) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
PubChem CID146652816
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
SMILESC=C(CCOC/C=C/c1ccccc1)OC(C)=O
InChIInChI=1S/C15H18O3/c1-13(18-14(2)16)10-12-17-11-6-9-15-7-4-3-5-8-15/h3-9H,1,10-12H2,2H3/b9-6+
InChIKeyGDDBODGEEUHICM-RMKNXTFCSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate?
The IUPAC name of 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate (CID 146652816) is 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate is C=C(CCOC/C=C/c1ccccc1)OC(C)=O.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate?
The InChIKey is GDDBODGEEUHICM-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18O3/c1-13(18-14(2)16)10-12-17-11-6-9-15-7-4-3-5-8-15/h3-9H,1,10-12H2,2H3/b9-6+.
What are the key properties of 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate?
4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate has a molecular weight of 246.31 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate is sourced from PubChem (CID 146652816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).