(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

C15H11ClO4 — CID 83955311

IUPAC(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(O)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO4/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-8,17-18H,(H,19,20)/b13-7-
InChIKeyUIAWAYHUDPKDAJ-QPEQYQDCSA-N
MW290.70 g/mol
LogP3.38
Rot. Bonds3

About (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid (PubChem CID 83955311) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
PubChem CID83955311
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(O)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO4/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-8,17-18H,(H,19,20)/b13-7-
InChIKeyUIAWAYHUDPKDAJ-QPEQYQDCSA-N
XLogP3.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.38
H-Bond Donors ≤ 53
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

2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
2-[(2,4-dihydroxyphenyl)methylidene]propanedioic acid
CID 45093805
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83953971
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
CID 18785337
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
CID 112720546
(E)-2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 131498816
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid (CID 83955311) is (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(O)cc1O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid?
The InChIKey is UIAWAYHUDPKDAJ-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H11ClO4/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-8,17-18H,(H,19,20)/b13-7-.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid?
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid has a molecular weight of 290.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).