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

C16H14O5 — CID 83950599

IUPAC(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2cccc(O)c2)cc1O
InChIInChI=1S/C16H14O5/c1-21-15-6-5-10(8-14(15)18)7-13(16(19)20)11-3-2-4-12(17)9-11/h2-9,17-18H,1H3,(H,19,20)/b13-7-
InChIKeyFJXYPZPRFUKRHQ-QPEQYQDCSA-N
MW286.28 g/mol
LogP2.73
Rot. Bonds4

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

(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid (PubChem CID 83950599) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
PubChem CID83950599
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2cccc(O)c2)cc1O
InChIInChI=1S/C16H14O5/c1-21-15-6-5-10(8-14(15)18)7-13(16(19)20)11-3-2-4-12(17)9-11/h2-9,17-18H,1H3,(H,19,20)/b13-7-
InChIKeyFJXYPZPRFUKRHQ-QPEQYQDCSA-N
XLogP2.73
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.73
H-Bond Donors ≤ 53
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

(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83953085
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 175352669
(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
CID 83951696
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
(Z)-3-(2-hydroxy-3-methoxy-5-nitrophenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 112720092
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
(Z)-3-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 1265001

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid (CID 83950599) is (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2cccc(O)c2)cc1O.
What is the InChIKey of (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is FJXYPZPRFUKRHQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H14O5/c1-21-15-6-5-10(8-14(15)18)7-13(16(19)20)11-3-2-4-12(17)9-11/h2-9,17-18H,1H3,(H,19,20)/b13-7-.
What are the key properties of (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid?
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83950599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).