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

C11H13ClO4 — CID 117363717

IUPAC2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)cc(Cl)c(C(O)C(=O)O)c1C
InChIInChI=1S/C11H13ClO4/c1-5-4-7(12)8(9(13)11(14)15)6(2)10(5)16-3/h4,9,13H,1-3H3,(H,14,15)
InChIKeyHDBKEJWODHJMPK-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.08
Rot. Bonds3

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

2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid (PubChem CID 117363717) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
PubChem CID117363717
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C)cc(Cl)c(C(O)C(=O)O)c1C
InChIInChI=1S/C11H13ClO4/c1-5-4-7(12)8(9(13)11(14)15)6(2)10(5)16-3/h4,9,13H,1-3H3,(H,14,15)
InChIKeyHDBKEJWODHJMPK-UHFFFAOYSA-N
XLogP2.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117358565
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
2-amino-3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid
CID 117403269
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid (CID 117363717) is 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid is COc1c(C)cc(Cl)c(C(O)C(=O)O)c1C.
What is the InChIKey of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid?
The InChIKey is HDBKEJWODHJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-5-4-7(12)8(9(13)11(14)15)6(2)10(5)16-3/h4,9,13H,1-3H3,(H,14,15).
What are the key properties of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid?
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid has a molecular weight of 244.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117363717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).