(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid

C19H20O4 — CID 83951220

IUPAC(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C(=C/c2ccccc2OC)C(=O)O)cc1C
InChIInChI=1S/C19H20O4/c1-4-23-17-10-9-14(11-13(17)2)16(19(20)21)12-15-7-5-6-8-18(15)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeyUIYAYVDJQFUBDV-VBKFSLOCSA-N
MW312.37 g/mol
LogP4.03
Rot. Bonds6

About (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid

(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 83951220) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID83951220
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C(=C/c2ccccc2OC)C(=O)O)cc1C
InChIInChI=1S/C19H20O4/c1-4-23-17-10-9-14(11-13(17)2)16(19(20)21)12-15-7-5-6-8-18(15)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeyUIYAYVDJQFUBDV-VBKFSLOCSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic 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-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954962
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(E)-3-(2-amino-4-ethoxy-3-methoxyphenyl)-2-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid
CID 16637889
(Z)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20990461
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-3-(2-butoxyphenyl)-2-(3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 83954516
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(3,4-dimethylphenyl)prop-2-enoic acid
CID 83953009
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid (CID 83951220) is (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid is CCOc1ccc(/C(=C/c2ccccc2OC)C(=O)O)cc1C.
What is the InChIKey of (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is UIYAYVDJQFUBDV-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-23-17-10-9-14(11-13(17)2)16(19(20)21)12-15-7-5-6-8-18(15)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-.
What are the key properties of (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).