(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid

C21H24O4 — CID 83952117

IUPAC(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H24O4/c1-5-10-25-19-9-7-16(13-20(19)24-4)12-18(21(22)23)17-8-6-14(2)11-15(17)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b18-12-
InChIKeyLOHRVDBTKACSCI-PDGQHHTCSA-N
MW340.42 g/mol
LogP4.73
Rot. Bonds7

About (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid

(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid (PubChem CID 83952117) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
PubChem CID83952117
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H24O4/c1-5-10-25-19-9-7-16(13-20(19)24-4)12-18(21(22)23)17-8-6-14(2)11-15(17)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b18-12-
InChIKeyLOHRVDBTKACSCI-PDGQHHTCSA-N
XLogP4.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.73
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-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)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)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 112720533
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
(Z)-3-(3-butoxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83951529
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid (CID 83952117) is (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid is CCCOc1ccc(/C=C(\C(=O)O)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The InChIKey is LOHRVDBTKACSCI-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H24O4/c1-5-10-25-19-9-7-16(13-20(19)24-4)12-18(21(22)23)17-8-6-14(2)11-15(17)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b18-12-.
What are the key properties of (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).