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

C15H13ClO4 — CID 117243432

IUPAC3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C15H13ClO4/c16-11-4-2-6-13(8-11)20-9-14(15(18)19)10-3-1-5-12(17)7-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyGURUASRUSRIIDI-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds5

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

3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 117243432) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
PubChem CID117243432
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C15H13ClO4/c16-11-4-2-6-13(8-11)20-9-14(15(18)19)10-3-1-5-12(17)7-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyGURUASRUSRIIDI-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

2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241019
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-[4-[2-carboxy-2-(3,5-dihydroxyphenyl)ethoxy]phenoxy]-2-(3,5-dihydroxyphenyl)propanoic acid
CID 67652008
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid (CID 117243432) is 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid is O=C(O)C(COc1cccc(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is GURUASRUSRIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-11-4-2-6-13(8-11)20-9-14(15(18)19)10-3-1-5-12(17)7-10/h1-8,14,17H,9H2,(H,18,19).
What are the key properties of 3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
3-(3-chlorophenoxy)-2-(3-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-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117243432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).