(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid

C19H20O4 — CID 83951414

IUPAC(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
SMILESCCc1ccc(/C(=C/c2cccc(OC)c2OC)C(=O)O)cc1
InChIInChI=1S/C19H20O4/c1-4-13-8-10-14(11-9-13)16(19(20)21)12-15-6-5-7-17(22-2)18(15)23-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeySLXQVYBOFIOIAN-VBKFSLOCSA-N
MW312.37 g/mol
LogP3.89
Rot. Bonds6

About (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid

(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid (PubChem CID 83951414) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
PubChem CID83951414
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
SMILESCCc1ccc(/C(=C/c2cccc(OC)c2OC)C(=O)O)cc1
InChIInChI=1S/C19H20O4/c1-4-13-8-10-14(11-9-13)16(19(20)21)12-15-6-5-7-17(22-2)18(15)23-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeySLXQVYBOFIOIAN-VBKFSLOCSA-N
XLogP3.89
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 ≤ 53.89
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'}

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Related Compounds

(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 112720011
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(4-ethylphenyl)prop-2-enoic acid
CID 83953226
(Z)-2-(4-ethylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83953907
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid (CID 83951414) is (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid is CCc1ccc(/C(=C/c2cccc(OC)c2OC)C(=O)O)cc1.
What is the InChIKey of (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid?
The InChIKey is SLXQVYBOFIOIAN-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-13-8-10-14(11-9-13)16(19(20)21)12-15-6-5-7-17(22-2)18(15)23-3/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-.
What are the key properties of (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid?
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).