2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid

C9H9ClO4 — CID 117308561

IUPAC2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Cl)cc(C(O)C(=O)O)c1O
InChIInChI=1S/C9H9ClO4/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14)
InChIKeyXNPUYYCXFOZIJD-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.47
Rot. Bonds2

About 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid

2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117308561) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID117308561
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Cl)cc(C(O)C(=O)O)c1O
InChIInChI=1S/C9H9ClO4/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14)
InChIKeyXNPUYYCXFOZIJD-UHFFFAOYSA-N
XLogP1.47
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
3-bromo-1-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 171859874
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
methyl (3R)-3-amino-3-(5-chloro-2-hydroxy-3-methylphenyl)propanoate;hydrochloride
CID 171251345
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[(1S,2R)-1-amino-2-hydroxybutyl]-4-chloro-6-methylphenol;hydrochloride
CID 171271266
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid (CID 117308561) is 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid is Cc1cc(Cl)cc(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is XNPUYYCXFOZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 216.62 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117308561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).