3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

C15H11ClO3 — CID 76914513

IUPAC3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-13-9-10(6-7-14(13)17)8-12(15(18)19)11-4-2-1-3-5-11/h1-9,17H,(H,18,19)
InChIKeyRYXJXUBFCHUPCM-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.67
Rot. Bonds3

About 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid (PubChem CID 76914513) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
PubChem CID76914513
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-13-9-10(6-7-14(13)17)8-12(15(18)19)11-4-2-1-3-5-11/h1-9,17H,(H,18,19)
InChIKeyRYXJXUBFCHUPCM-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)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
CID 23619429
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
CID 59041030
2-chloro-4-(2,2-dichloroethenyl)phenol
CID 14074061
(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010
(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83953085

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid (CID 76914513) is 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid is O=C(O)C(=Cc1ccc(O)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The InChIKey is RYXJXUBFCHUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-13-9-10(6-7-14(13)17)8-12(15(18)19)11-4-2-1-3-5-11/h1-9,17H,(H,18,19).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-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 3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 76914513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).