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

C17H16O4 — CID 83956118

IUPAC(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(C)cc1/C(=C/c1cccc(O)c1)C(=O)O
InChIInChI=1S/C17H16O4/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-10,18H,1-2H3,(H,19,20)/b15-10-
InChIKeyVZKXUBGINFKOBQ-GDNBJRDFSA-N
MW284.31 g/mol
LogP3.33
Rot. Bonds4

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

(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid (PubChem CID 83956118) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
PubChem CID83956118
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(C)cc1/C(=C/c1cccc(O)c1)C(=O)O
InChIInChI=1S/C17H16O4/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-10,18H,1-2H3,(H,19,20)/b15-10-
InChIKeyVZKXUBGINFKOBQ-GDNBJRDFSA-N
XLogP3.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.33
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

(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950746
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83953659
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid (CID 83956118) is (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid is COc1ccc(C)cc1/C(=C/c1cccc(O)c1)C(=O)O.
What is the InChIKey of (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
The InChIKey is VZKXUBGINFKOBQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H16O4/c1-11-6-7-16(21-2)14(8-11)15(17(19)20)10-12-4-3-5-13(18)9-12/h3-10,18H,1-2H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid?
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83956118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).