(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid

C16H14O4 — CID 83950730

IUPAC(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C(=C/c2ccc(O)cc2)C(=O)O)c1
InChIInChI=1S/C16H14O4/c1-20-14-4-2-3-12(10-14)15(16(18)19)9-11-5-7-13(17)8-6-11/h2-10,17H,1H3,(H,18,19)/b15-9-
InChIKeyXUZDDWBTULNEEF-DHDCSXOGSA-N
MW270.28 g/mol
LogP3.03
Rot. Bonds4

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

(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83950730) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
PubChem CID83950730
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C(=C/c2ccc(O)cc2)C(=O)O)c1
InChIInChI=1S/C16H14O4/c1-20-14-4-2-3-12(10-14)15(16(18)19)9-11-5-7-13(17)8-6-11/h2-10,17H,1H3,(H,18,19)/b15-9-
InChIKeyXUZDDWBTULNEEF-DHDCSXOGSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-2-(3-methoxyphenyl)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 112720819
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
(Z)-3-(4-chloro-3-nitrophenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 112721120
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (CID 83950730) is (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is COc1cccc(/C(=C/c2ccc(O)cc2)C(=O)O)c1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is XUZDDWBTULNEEF-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-14-4-2-3-12(10-14)15(16(18)19)9-11-5-7-13(17)8-6-11/h2-10,17H,1H3,(H,18,19)/b15-9-.
What are the key properties of (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83950730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).