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

C15H13ClO4 — CID 91594906

IUPAC2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyATXWVWJFUIBGIO-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.12
Rot. Bonds5

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

2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 91594906) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID91594906
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyATXWVWJFUIBGIO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid (CID 91594906) is 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ATXWVWJFUIBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14,17H,9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 91594906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).