(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid

C21H24O5 — CID 20987581

IUPAC(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(/C(=O)O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H24O5/c1-4-12-26-19-11-6-15(14-20(19)25-5-2)13-18(21(22)23)16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/b18-13+
InChIKeyDYZMPUSYOSVVPU-QGOAFFKASA-N
MW356.42 g/mol
LogP4.51
Rot. Bonds9

About (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid

(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 20987581) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID20987581
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(/C(=O)O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H24O5/c1-4-12-26-19-11-6-15(14-20(19)25-5-2)13-18(21(22)23)16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/b18-13+
InChIKeyDYZMPUSYOSVVPU-QGOAFFKASA-N
XLogP4.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(3-ethoxy-4-hydroxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 3498269
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-3-(3-butoxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83951529
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499
3-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)prop-2-enoic acid
CID 1421836
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117
(Z)-3-(3-bromo-4-propoxyphenyl)-2-phenylprop-2-enoic acid
CID 20988508
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (CID 20987581) is (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid is CCCOc1ccc(/C=C(/C(=O)O)c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is DYZMPUSYOSVVPU-QGOAFFKASA-N. The full InChI is InChI=1S/C21H24O5/c1-4-12-26-19-11-6-15(14-20(19)25-5-2)13-18(21(22)23)16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/b18-13+.
What are the key properties of (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 356.42 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20987581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).