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

C11H13ClO3 — CID 117329552

IUPAC2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(Cl)c(CC(=O)O)c1C
InChIInChI=1S/C11H13ClO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)15-3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRHHPHMBCFJVTLJ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.59
Rot. Bonds3

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

2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid (PubChem CID 117329552) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
PubChem CID117329552
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(Cl)c(CC(=O)O)c1C
InChIInChI=1S/C11H13ClO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)15-3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRHHPHMBCFJVTLJ-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-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117358565
2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
CID 84794027
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid (CID 117329552) is 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid is COc1c(C)cc(Cl)c(CC(=O)O)c1C.
What is the InChIKey of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid?
The InChIKey is RHHPHMBCFJVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)15-3/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid?
2-(6-chloro-3-methoxy-2,4-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-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 117329552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).