2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid

C11H13ClO5 — CID 117406019

IUPAC2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)c(Cl)c(C)c(C(O)C(=O)O)c1O
InChIInChI=1S/C11H13ClO5/c1-4-6(9(14)11(15)16)8(13)10(17-3)5(2)7(4)12/h9,13-14H,1-3H3,(H,15,16)
InChIKeyBYJSBOWQVDURHW-UHFFFAOYSA-N
MW260.67 g/mol
LogP1.79
Rot. Bonds3

About 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid

2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid (PubChem CID 117406019) has the molecular formula C11H13ClO5 and a molecular weight of 260.67 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
PubChem CID117406019
Molecular FormulaC11H13ClO5
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)c(Cl)c(C)c(C(O)C(=O)O)c1O
InChIInChI=1S/C11H13ClO5/c1-4-6(9(14)11(15)16)8(13)10(17-3)5(2)7(4)12/h9,13-14H,1-3H3,(H,15,16)
InChIKeyBYJSBOWQVDURHW-UHFFFAOYSA-N
XLogP1.79
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-3-methylbutanoic acid
CID 117462487
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 117458252
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117470010
5-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136928657
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
CID 117361456

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid (CID 117406019) is 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid is COc1c(C)c(Cl)c(C)c(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid?
The InChIKey is BYJSBOWQVDURHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5/c1-4-6(9(14)11(15)16)8(13)10(17-3)5(2)7(4)12/h9,13-14H,1-3H3,(H,15,16).
What are the key properties of 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid?
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid has a molecular weight of 260.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117406019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).