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

C10H11ClO4 — CID 84794027

IUPAC2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cc(C)c(O)c1Cl
InChIInChI=1S/C10H11ClO4/c1-5-3-6(4-7(12)13)10(15-2)8(11)9(5)14/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyGRZOHQBYPANVOR-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.99
Rot. Bonds3

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

2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid (PubChem CID 84794027) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
PubChem CID84794027
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cc(C)c(O)c1Cl
InChIInChI=1S/C10H11ClO4/c1-5-3-6(4-7(12)13)10(15-2)8(11)9(5)14/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyGRZOHQBYPANVOR-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
CID 84792455
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
2-amino-4-[(3-amino-4-hydroxy-2-methoxy-5-methylphenyl)methyl]-3-methoxy-6-methylphenol
CID 59194594
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84700683
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid (CID 84794027) is 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid is COc1c(CC(=O)O)cc(C)c(O)c1Cl.
What is the InChIKey of 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid?
The InChIKey is GRZOHQBYPANVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5-3-6(4-7(12)13)10(15-2)8(11)9(5)14/h3,14H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid?
2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid has a molecular weight of 230.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 84794027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).