3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid

C15H13ClO4 — CID 117245303

IUPAC3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-9-14(15(18)19)10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyULLOYOCOYAUCJX-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds5

About 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid

3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 117245303) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID117245303
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-9-14(15(18)19)10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyULLOYOCOYAUCJX-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-carboxy-2-(3,5-dihydroxyphenyl)ethoxy]phenoxy]-2-(3,5-dihydroxyphenyl)propanoic acid
CID 67652008
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
CID 105450460
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241514
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid (CID 117245303) is 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid is O=C(O)C(COc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ULLOYOCOYAUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-9-14(15(18)19)10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19).
What are the key properties of 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid?
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117245303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).