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

C11H13ClO3 — CID 84692181

IUPAC2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
SMILESCOc1c(Cl)c(C)cc(C)c1CC(=O)O
InChIInChI=1S/C11H13ClO3/c1-6-4-7(2)10(12)11(15-3)8(6)5-9(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyUFBCNAFYMDVXGQ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.59
Rot. Bonds3

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

2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid (PubChem CID 84692181) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
PubChem CID84692181
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
SMILESCOc1c(Cl)c(C)cc(C)c1CC(=O)O
InChIInChI=1S/C11H13ClO3/c1-6-4-7(2)10(12)11(15-3)8(6)5-9(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKeyUFBCNAFYMDVXGQ-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
CID 84794027
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)butanoic acid
CID 117434529
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 117395369
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439274
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid (CID 84692181) is 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid is COc1c(Cl)c(C)cc(C)c1CC(=O)O.
What is the InChIKey of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid?
The InChIKey is UFBCNAFYMDVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6-4-7(2)10(12)11(15-3)8(6)5-9(13)14/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid?
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid has a molecular weight of 228.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 84692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).