2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid

C9H9ClO3 — CID 84775971

IUPAC2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)cc(O)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyWQGHPFNKSNMRGB-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid

2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid (PubChem CID 84775971) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid
PubChem CID84775971
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)cc(O)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyWQGHPFNKSNMRGB-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-(2-chloro-3-hydroxy-5-methylphenyl)acetic acid
CID 117289539
1-(4-chloro-3,5-dimethylphenyl)propan-2-one
CID 84774110
2-(4-chloro-3-hydroxy-5-methylphenyl)acetonitrile
CID 84768635
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-[4-(chloromethyl)-2,6-dimethylphenyl]acetic acid
CID 171022213
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl]acetic acid
CID 175656623
ethane;2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]acetic acid
CID 143661194

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid (CID 84775971) is 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid is Cc1cc(CC(=O)O)cc(O)c1Cl.
What is the InChIKey of 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid?
The InChIKey is WQGHPFNKSNMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-2-6(4-8(12)13)3-7(11)9(5)10/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid?
2-(4-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-(4-chloro-3-hydroxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 84775971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).