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

C10H11ClO2 — CID 18401133

IUPAC2-(3-chloro-2,6-dimethylphenyl)acetic acid
SMILESCc1ccc(Cl)c(C)c1CC(=O)O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(11)7(2)8(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRPLGUWQVPVPNQT-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.58
Rot. Bonds2

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

2-(3-chloro-2,6-dimethylphenyl)acetic acid (PubChem CID 18401133) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-chloro-2,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,6-dimethylphenyl)acetic acid
PubChem CID18401133
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(3-chloro-2,6-dimethylphenyl)acetic acid
SMILESCc1ccc(Cl)c(C)c1CC(=O)O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(11)7(2)8(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRPLGUWQVPVPNQT-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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Related Compounds

2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-[3,6-dichloro-2-(3-chloro-2-oxopropyl)phenyl]acetic acid
CID 57107813
2-(6-chloro-3-methyl-2-nitrophenyl)acetic acid
CID 131618549
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-[3-(chloromethyl)-2-cyano-6-methylphenyl]acetic acid
CID 131589818
2-[6-(chloromethyl)-2-cyano-3-methylphenyl]acetic acid
CID 131521523
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
3-(3-chloro-2-methyl-6-nitrophenyl)-2-oxopropanoic acid
CID 21396339
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2,6-dimethylphenyl)acetic acid (CID 18401133) is 2-(3-chloro-2,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2,6-dimethylphenyl)acetic acid is Cc1ccc(Cl)c(C)c1CC(=O)O.
What is the InChIKey of 2-(3-chloro-2,6-dimethylphenyl)acetic acid?
The InChIKey is RPLGUWQVPVPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-4-9(11)7(2)8(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-chloro-2,6-dimethylphenyl)acetic acid?
2-(3-chloro-2,6-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-(3-chloro-2,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 18401133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).