(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid

C13H14O4 — CID 88648997

IUPAC(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
SMILESC=C/C=C(/C(=O)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H14O4/c1-4-5-10(13(14)15)9-6-7-11(16-2)12(8-9)17-3/h4-8H,1H2,2-3H3,(H,14,15)/b10-5+
InChIKeyVFRDJGBJWOPGSD-BJMVGYQFSA-N
MW234.25 g/mol
LogP2.36
Rot. Bonds5

About (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid

(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid (PubChem CID 88648997) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
PubChem CID88648997
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
SMILESC=C/C=C(/C(=O)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H14O4/c1-4-5-10(13(14)15)9-6-7-11(16-2)12(8-9)17-3/h4-8H,1H2,2-3H3,(H,14,15)/b10-5+
InChIKeyVFRDJGBJWOPGSD-BJMVGYQFSA-N
XLogP2.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid 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

(Z)-3-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 1265001
(Z)-3-(5-bromo-2-methoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 20989568
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
CID 14347231
(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid
CID 88570224
(Z)-3-bromo-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 167435362
3-amino-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 70025208
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid (CID 88648997) is (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid is C=C/C=C(/C(=O)O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid?
The InChIKey is VFRDJGBJWOPGSD-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H14O4/c1-4-5-10(13(14)15)9-6-7-11(16-2)12(8-9)17-3/h4-8H,1H2,2-3H3,(H,14,15)/b10-5+.
What are the key properties of (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid?
(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 88648997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).