(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid

C17H15ClO4 — CID 83952301

IUPAC(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(O)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H15ClO4/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-15(19)14(18)9-11/h3-9,19H,1-2H3,(H,20,21)/b13-8-
InChIKeyVOJSCKVOSDLQPT-JYRVWZFOSA-N
MW318.76 g/mol
LogP3.99
Rot. Bonds4

About (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid

(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (PubChem CID 83952301) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
PubChem CID83952301
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(O)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H15ClO4/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-15(19)14(18)9-11/h3-9,19H,1-2H3,(H,20,21)/b13-8-
InChIKeyVOJSCKVOSDLQPT-JYRVWZFOSA-N
XLogP3.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.99
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)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83955379
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(3,4-dimethylphenyl)prop-2-enoic acid
CID 83953009
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956035
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956228
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(4-ethylphenyl)prop-2-enoic acid
CID 83953226
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952468
(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83955246

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (CID 83952301) is (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccc(O)c(Cl)c2)C(=O)O)cc1C.
What is the InChIKey of (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The InChIKey is VOJSCKVOSDLQPT-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-15(19)14(18)9-11/h3-9,19H,1-2H3,(H,20,21)/b13-8-.
What are the key properties of (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).