ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate

C14H16O3 — CID 87212228

IUPACethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/c1ccccc1OC
InChIInChI=1S/C14H16O3/c1-3-17-14(15)11-7-5-9-12-8-4-6-10-13(12)16-2/h4-11H,3H2,1-2H3/b9-5+,11-7+
InChIKeyKZWUMSRSNDHGRL-TWHYHQCRSA-N
MW232.28 g/mol
LogP2.83
Rot. Bonds5

About ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate

ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate (PubChem CID 87212228) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
PubChem CID87212228
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/c1ccccc1OC
InChIInChI=1S/C14H16O3/c1-3-17-14(15)11-7-5-9-12-8-4-6-10-13(12)16-2/h4-11H,3H2,1-2H3/b9-5+,11-7+
InChIKeyKZWUMSRSNDHGRL-TWHYHQCRSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate 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

ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
CID 142405628
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
[2-(dimethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2097828
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate (CID 87212228) is ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate is CCOC(=O)/C=C/C=C/c1ccccc1OC.
What is the InChIKey of ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate?
The InChIKey is KZWUMSRSNDHGRL-TWHYHQCRSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-17-14(15)11-7-5-9-12-8-4-6-10-13(12)16-2/h4-11H,3H2,1-2H3/b9-5+,11-7+.
What are the key properties of ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate?
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate has a molecular weight of 232.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate is sourced from PubChem (CID 87212228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).