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

C10H11ClO2 — CID 59141966

IUPAC2-(2-chloro-4,6-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-6-3-7(2)8(5-10(12)13)9(11)4-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyPIHMQLPJEBZZCY-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.58
Rot. Bonds2

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

2-(2-chloro-4,6-dimethylphenyl)acetic acid (PubChem CID 59141966) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenyl)acetic acid
PubChem CID59141966
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(2-chloro-4,6-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-6-3-7(2)8(5-10(12)13)9(11)4-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyPIHMQLPJEBZZCY-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenyl)acetic acid (CID 59141966) is 2-(2-chloro-4,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenyl)acetic acid is Cc1cc(C)c(CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The InChIKey is PIHMQLPJEBZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-7(2)8(5-10(12)13)9(11)4-6/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-chloro-4,6-dimethylphenyl)acetic acid?
2-(2-chloro-4,6-dimethylphenyl)acetic acid has a molecular weight of 198.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 59141966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).