2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid

C11H13ClO6 — CID 117443259

IUPAC2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(OC)c(C(O)C(=O)O)c(Cl)c1OC
InChIInChI=1S/C11H13ClO6/c1-16-5-4-6(17-2)10(18-3)8(12)7(5)9(13)11(14)15/h4,9,13H,1-3H3,(H,14,15)
InChIKeyPUEOCPREQVWYCV-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.48
Rot. Bonds5

About 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid

2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117443259) has the molecular formula C11H13ClO6 and a molecular weight of 276.67 g/mol. Its IUPAC name is 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
PubChem CID117443259
Molecular FormulaC11H13ClO6
Molecular Weight276.67 g/mol
Exact Mass276.04
IUPAC Name2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(OC)c(C(O)C(=O)O)c(Cl)c1OC
InChIInChI=1S/C11H13ClO6/c1-16-5-4-6(17-2)10(18-3)8(12)7(5)9(13)11(14)15/h4,9,13H,1-3H3,(H,14,15)
InChIKeyPUEOCPREQVWYCV-UHFFFAOYSA-N
XLogP1.48
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-chloro-3,4,6-trimethoxyphenyl)propanoic acid
CID 117467974
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
3-amino-3-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117437002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid (CID 117443259) is 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid is COc1cc(OC)c(C(O)C(=O)O)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is PUEOCPREQVWYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO6/c1-16-5-4-6(17-2)10(18-3)8(12)7(5)9(13)11(14)15/h4,9,13H,1-3H3,(H,14,15).
What are the key properties of 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid?
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 276.67 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117443259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).