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

C9H9ClO3 — CID 117289539

IUPAC2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(O)c(Cl)c(CC(=O)O)c1
InChIInChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)9(10)7(11)3-5/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyUQBVQACNTRZVES-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.98
Rot. Bonds2

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

2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid (PubChem CID 117289539) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
PubChem CID117289539
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(O)c(Cl)c(CC(=O)O)c1
InChIInChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)9(10)7(11)3-5/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyUQBVQACNTRZVES-UHFFFAOYSA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 84775971
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
3-(2-aminopropyl)-2-chloro-5-methylphenol
CID 117288920
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
4-(2,3-dihydroxy-5-methylphenyl)-3-methylbutan-2-one
CID 91394048
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid (CID 117289539) is 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid is Cc1cc(O)c(Cl)c(CC(=O)O)c1.
What is the InChIKey of 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The InChIKey is UQBVQACNTRZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)9(10)7(11)3-5/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid?
2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 117289539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).