2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid

C15H11ClO3 — CID 5053670

IUPAC2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO3/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9,17H,(H,18,19)
InChIKeyNSOQDMCIQCGYNX-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid

2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid (PubChem CID 5053670) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
PubChem CID5053670
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO3/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9,17H,(H,18,19)
InChIKeyNSOQDMCIQCGYNX-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 83955311
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
2-[(Z)-2-(4-bromophenyl)-2-carboxyethenyl]benzoic acid
CID 112721015
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
CID 11817774
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
2-[(Z)-2-carboxy-2-(3,4-dichlorophenyl)ethenyl]benzoic acid
CID 83954049
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid (CID 5053670) is 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid is O=C(O)C(=Cc1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is NSOQDMCIQCGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9,17H,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid?
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 274.70 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 5053670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).