2-bromo-6-hydroxy-3-methylbenzoic acid

C8H7BrO3 — CID 84794088

IUPAC2-bromo-6-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(O)c(C(=O)O)c1Br
InChIInChI=1S/C8H7BrO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyHIHAXSURPMXDCP-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.16
Rot. Bonds1

About 2-bromo-6-hydroxy-3-methylbenzoic acid

2-bromo-6-hydroxy-3-methylbenzoic acid (PubChem CID 84794088) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-bromo-6-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name2-bromo-6-hydroxy-3-methylbenzoic acid
PubChem CID84794088
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-bromo-6-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(O)c(C(=O)O)c1Br
InChIInChI=1S/C8H7BrO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyHIHAXSURPMXDCP-UHFFFAOYSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-iodo-6-methylbenzoic acid
CID 131271867
2-(2-bromo-6-hydroxy-3-methylphenyl)-3-methylbutanoic acid
CID 84813993
3-bromo-2-fluoro-4-methylphenol
CID 125116434
2-amino-6-bromo-3-methylbenzoic acid
CID 43629002
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
2-bromo-3-cyano-6-methylbenzoic acid
CID 119006332
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
6-amino-2-bromo-3-methylbenzoate
CID 5082966
3,6-dihydroxyphthalic acid;5-methylbenzene-1,3-diamine
CID 135187783
3-tert-butyl-6-hydroxy-2-methylbenzoic acid
CID 154313774

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-hydroxy-3-methylbenzoic acid?
The IUPAC name of 2-bromo-6-hydroxy-3-methylbenzoic acid (CID 84794088) is 2-bromo-6-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 2-bromo-6-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 2-bromo-6-hydroxy-3-methylbenzoic acid is Cc1ccc(O)c(C(=O)O)c1Br.
What is the InChIKey of 2-bromo-6-hydroxy-3-methylbenzoic acid?
The InChIKey is HIHAXSURPMXDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 2-bromo-6-hydroxy-3-methylbenzoic acid?
2-bromo-6-hydroxy-3-methylbenzoic acid has a molecular weight of 231.04 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 84794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).