2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid

C10H11ClO5 — CID 117369069

IUPAC2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(O)cc(C)c(C(O)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClO5/c1-4-3-5(12)9(16-2)7(11)6(4)8(13)10(14)15/h3,8,12-13H,1-2H3,(H,14,15)
InChIKeyXRESWEMYHBELQE-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid

2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117369069) has the molecular formula C10H11ClO5 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
PubChem CID117369069
Molecular FormulaC10H11ClO5
Molecular Weight246.65 g/mol
Exact Mass246.03
IUPAC Name2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(O)cc(C)c(C(O)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClO5/c1-4-3-5(12)9(16-2)7(11)6(4)8(13)10(14)15/h3,8,12-13H,1-2H3,(H,14,15)
InChIKeyXRESWEMYHBELQE-UHFFFAOYSA-N
XLogP1.48
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
3-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)butanal
CID 117358740
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019
methyl 2-(2-chloro-3,4-dihydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117369055
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117394902
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid (CID 117369069) is 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid is COc1c(O)cc(C)c(C(O)C(=O)O)c1Cl.
What is the InChIKey of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is XRESWEMYHBELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5/c1-4-3-5(12)9(16-2)7(11)6(4)8(13)10(14)15/h3,8,12-13H,1-2H3,(H,14,15).
What are the key properties of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid?
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 246.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117369069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).