(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

C16H13ClO4 — CID 83953650

IUPAC(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C/c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C16H13ClO4/c1-21-15-5-3-2-4-12(15)13(16(19)20)9-10-8-11(17)6-7-14(10)18/h2-9,18H,1H3,(H,19,20)/b13-9-
InChIKeyVFISSMCUQAPOEM-LCYFTJDESA-N
MW304.73 g/mol
LogP3.68
Rot. Bonds4

About (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 83953650) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID83953650
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C(=C/c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C16H13ClO4/c1-21-15-5-3-2-4-12(15)13(16(19)20)9-10-8-11(17)6-7-14(10)18/h2-9,18H,1H3,(H,19,20)/b13-9-
InChIKeyVFISSMCUQAPOEM-LCYFTJDESA-N
XLogP3.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.68
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'}

Analyze (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83953659
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83955246
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950746
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
(Z)-3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83953511
4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
CID 83955775
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (CID 83953650) is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is COc1ccccc1/C(=C/c1cc(Cl)ccc1O)C(=O)O.
What is the InChIKey of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is VFISSMCUQAPOEM-LCYFTJDESA-N. The full InChI is InChI=1S/C16H13ClO4/c1-21-15-5-3-2-4-12(15)13(16(19)20)9-10-8-11(17)6-7-14(10)18/h2-9,18H,1H3,(H,19,20)/b13-9-.
What are the key properties of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83953650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).