(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid

C19H20O4 — CID 83954820

IUPAC(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H20O4/c1-4-23-15-7-5-6-14(11-15)12-17(19(20)21)16-10-13(2)8-9-18(16)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b17-12-
InChIKeyDMIMDUMODAUYPY-ATVHPVEESA-N
MW312.37 g/mol
LogP4.03
Rot. Bonds6

About (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid

(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid (PubChem CID 83954820) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
PubChem CID83954820
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H20O4/c1-4-23-15-7-5-6-14(11-15)12-17(19(20)21)16-10-13(2)8-9-18(16)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b17-12-
InChIKeyDMIMDUMODAUYPY-ATVHPVEESA-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'}

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Related Compounds

(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(Z)-3-(3-ethoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 35752809
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83953026
(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
CID 83954190
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid (CID 83954820) is (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid is CCOc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2OC)c1.
What is the InChIKey of (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The InChIKey is DMIMDUMODAUYPY-ATVHPVEESA-N. The full InChI is InChI=1S/C19H20O4/c1-4-23-15-7-5-6-14(11-15)12-17(19(20)21)16-10-13(2)8-9-18(16)22-3/h5-12H,4H2,1-3H3,(H,20,21)/b17-12-.
What are the key properties of (Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)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)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).