ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate

C14H16O3 — CID 14940603

IUPACethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
SMILESCCOC(=O)/C=C/OC/C=C/c1ccccc1
InChIInChI=1S/C14H16O3/c1-2-17-14(15)10-12-16-11-6-9-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3/b9-6+,12-10+
InChIKeyIZDNZJBDSVMBRE-LWGDNYCUSA-N
MW232.28 g/mol
LogP2.79
Rot. Bonds6

About ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate

ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate (PubChem CID 14940603) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
PubChem CID14940603
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
SMILESCCOC(=O)/C=C/OC/C=C/c1ccccc1
InChIInChI=1S/C14H16O3/c1-2-17-14(15)10-12-16-11-6-9-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3/b9-6+,12-10+
InChIKeyIZDNZJBDSVMBRE-LWGDNYCUSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.79
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate 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

(+)-Kavain
CID 5281565
Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Dihydrokavain
CID 10220256
Cinnamyl isobutyrate
CID 5355851
Desmethoxyyangonin
CID 5273621
Linalyl cinnamate
CID 5355858
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423
Isobutyl Cinnamate
CID 778574
Cinnamyl cinnamate
CID 1550890

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate (CID 14940603) is ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate is CCOC(=O)/C=C/OC/C=C/c1ccccc1.
What is the InChIKey of ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate?
The InChIKey is IZDNZJBDSVMBRE-LWGDNYCUSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-14(15)10-12-16-11-6-9-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3/b9-6+,12-10+.
What are the key properties of ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate?
ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate is sourced from PubChem (CID 14940603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).