(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid

C17H16O6 — CID 83950818

IUPAC(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2cccc(O)c2)cc(OC)c1O
InChIInChI=1S/C17H16O6/c1-22-14-7-10(8-15(23-2)16(14)19)6-13(17(20)21)11-4-3-5-12(18)9-11/h3-9,18-19H,1-2H3,(H,20,21)/b13-6-
InChIKeyWRNKHUPLQLBNMT-MLPAPPSSSA-N
MW316.31 g/mol
LogP2.74
Rot. Bonds5

About (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid

(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid (PubChem CID 83950818) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
PubChem CID83950818
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2cccc(O)c2)cc(OC)c1O
InChIInChI=1S/C17H16O6/c1-22-14-7-10(8-15(23-2)16(14)19)6-13(17(20)21)11-4-3-5-12(18)9-11/h3-9,18-19H,1-2H3,(H,20,21)/b13-6-
InChIKeyWRNKHUPLQLBNMT-MLPAPPSSSA-N
XLogP2.74
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83953085
(Z)-3-(2-hydroxy-3-methoxy-5-nitrophenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 112720092
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954962
(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
CID 83951696
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
CID 23619429
(Z)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-phenylprop-2-enoic acid
CID 22681917
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-isocyanoprop-2-enoic acid
CID 58747243

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid (CID 83950818) is (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid is COc1cc(/C=C(\C(=O)O)c2cccc(O)c2)cc(OC)c1O.
What is the InChIKey of (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is WRNKHUPLQLBNMT-MLPAPPSSSA-N. The full InChI is InChI=1S/C17H16O6/c1-22-14-7-10(8-15(23-2)16(14)19)6-13(17(20)21)11-4-3-5-12(18)9-11/h3-9,18-19H,1-2H3,(H,20,21)/b13-6-.
What are the key properties of (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 316.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83950818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).