(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C16H12Cl2O4 — CID 83955246

IUPAC(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2cc(Cl)ccc2Cl)ccc1O
InChIInChI=1S/C16H12Cl2O4/c1-22-15-7-9(2-5-14(15)19)6-12(16(20)21)11-8-10(17)3-4-13(11)18/h2-8,19H,1H3,(H,20,21)/b12-6-
InChIKeyPYCGQBMOXCAQLZ-SDQBBNPISA-N
MW339.17 g/mol
LogP4.33
Rot. Bonds4

About (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83955246) has the molecular formula C16H12Cl2O4 and a molecular weight of 339.17 g/mol. Its IUPAC name is (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PubChem CID83955246
Molecular FormulaC16H12Cl2O4
Molecular Weight339.17 g/mol
Exact Mass338.01
IUPAC Name(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2cc(Cl)ccc2Cl)ccc1O
InChIInChI=1S/C16H12Cl2O4/c1-22-15-7-9(2-5-14(15)19)6-12(16(20)21)11-8-10(17)3-4-13(11)18/h2-8,19H,1H3,(H,20,21)/b12-6-
InChIKeyPYCGQBMOXCAQLZ-SDQBBNPISA-N
XLogP4.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.33
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)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950746
2-chloro-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 165355248
(Z)-2-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 138533045
(E)-1-(4-chloro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 122187514
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83953650
(E)-2-[(4-chlorobenzoyl)amino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 7137602
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83953659
N,N'-bis(5-chloro-2-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanediamide
CID 4844436
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]pentanoic acid
CID 175346635
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (CID 83955246) is (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is COc1cc(/C=C(\C(=O)O)c2cc(Cl)ccc2Cl)ccc1O.
What is the InChIKey of (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is PYCGQBMOXCAQLZ-SDQBBNPISA-N. The full InChI is InChI=1S/C16H12Cl2O4/c1-22-15-7-9(2-5-14(15)19)6-12(16(20)21)11-8-10(17)3-4-13(11)18/h2-8,19H,1H3,(H,20,21)/b12-6-.
What are the key properties of (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 339.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).