2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid

C11H13ClO5 — CID 117406025

IUPAC2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)cc(C(O)C(=O)O)c(OC)c1Cl
InChIInChI=1S/C11H13ClO5/c1-5-4-6(8(13)11(14)15)10(17-3)7(12)9(5)16-2/h4,8,13H,1-3H3,(H,14,15)
InChIKeyXEUNNPLDORXRLG-UHFFFAOYSA-N
MW260.67 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid

2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117406025) has the molecular formula C11H13ClO5 and a molecular weight of 260.67 g/mol. Its IUPAC name is 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
PubChem CID117406025
Molecular FormulaC11H13ClO5
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)cc(C(O)C(=O)O)c(OC)c1Cl
InChIInChI=1S/C11H13ClO5/c1-5-4-6(8(13)11(14)15)10(17-3)7(12)9(5)16-2/h4,8,13H,1-3H3,(H,14,15)
InChIKeyXEUNNPLDORXRLG-UHFFFAOYSA-N
XLogP1.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 117363911
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid (CID 117406025) is 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid is COc1c(C)cc(C(O)C(=O)O)c(OC)c1Cl.
What is the InChIKey of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is XEUNNPLDORXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5/c1-5-4-6(8(13)11(14)15)10(17-3)7(12)9(5)16-2/h4,8,13H,1-3H3,(H,14,15).
What are the key properties of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 260.67 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117406025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).