3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid

C9H8Cl2O3 — CID 123409299

IUPAC3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c10-8-5(2-4-7(13)14)1-3-6(12)9(8)11/h1,3,12H,2,4H2,(H,13,14)
InChIKeyXZAIGIGGXQSRPC-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.72
Rot. Bonds3

About 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid

3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid (PubChem CID 123409299) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
PubChem CID123409299
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c10-8-5(2-4-7(13)14)1-3-6(12)9(8)11/h1,3,12H,2,4H2,(H,13,14)
InChIKeyXZAIGIGGXQSRPC-UHFFFAOYSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
3-(2,3-dichloro-4-hydroxyphenyl)-1-(5-phenylthiophen-2-yl)propan-1-one
CID 59180340
3-[3,4-dihydroxy-2-(hydroxymethyl)phenyl]propanoic acid
CID 153427168
3-(2,5-dichloroquinolin-6-yl)propanoic acid
CID 117428226
3-[4-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]propanoic acid
CID 153427175
3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84668107
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid (CID 123409299) is 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid is O=C(O)CCc1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid?
The InChIKey is XZAIGIGGXQSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c10-8-5(2-4-7(13)14)1-3-6(12)9(8)11/h1,3,12H,2,4H2,(H,13,14).
What are the key properties of 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid?
3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid has a molecular weight of 235.07 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 123409299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).