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

C10H11BrO2 — CID 84703622

IUPAC2-(6-bromo-2,3-dimethylphenyl)acetic acid
SMILESCc1ccc(Br)c(CC(=O)O)c1C
InChIInChI=1S/C10H11BrO2/c1-6-3-4-9(11)8(7(6)2)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGSAIFQVCWHPTPR-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.69
Rot. Bonds2

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

2-(6-bromo-2,3-dimethylphenyl)acetic acid (PubChem CID 84703622) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2,3-dimethylphenyl)acetic acid
PubChem CID84703622
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-(6-bromo-2,3-dimethylphenyl)acetic acid
SMILESCc1ccc(Br)c(CC(=O)O)c1C
InChIInChI=1S/C10H11BrO2/c1-6-3-4-9(11)8(7(6)2)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGSAIFQVCWHPTPR-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
1-bromo-2-ethyl-3,4-dimethylbenzene
CID 141218396
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid
CID 4736828
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2-(4-bromo-2-iodo-3-methylphenyl)acetic acid
CID 171000935
2-(3,4-dimethyl-2-sulfanylphenyl)acetic acid
CID 91874745
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
CID 131621169
2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
CID 131299170
O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117331835

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dimethylphenyl)acetic acid?
The IUPAC name of 2-(6-bromo-2,3-dimethylphenyl)acetic acid (CID 84703622) is 2-(6-bromo-2,3-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2,3-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(6-bromo-2,3-dimethylphenyl)acetic acid is Cc1ccc(Br)c(CC(=O)O)c1C.
What is the InChIKey of 2-(6-bromo-2,3-dimethylphenyl)acetic acid?
The InChIKey is GSAIFQVCWHPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-3-4-9(11)8(7(6)2)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-bromo-2,3-dimethylphenyl)acetic acid?
2-(6-bromo-2,3-dimethylphenyl)acetic acid has a molecular weight of 243.10 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dimethylphenyl)acetic acid is sourced from PubChem (CID 84703622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).