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

C8H7BrO3 — CID 11053451

IUPAC3-bromo-6-hydroxy-2-methylbenzoic acid
SMILESCc1c(Br)ccc(O)c1C(=O)O
InChIInChI=1S/C8H7BrO3/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyAJXOCFKDIBBTJK-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.16
Rot. Bonds1

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

3-bromo-6-hydroxy-2-methylbenzoic acid (PubChem CID 11053451) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 3-bromo-6-hydroxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3-bromo-6-hydroxy-2-methylbenzoic acid
PubChem CID11053451
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name3-bromo-6-hydroxy-2-methylbenzoic acid
SMILESCc1c(Br)ccc(O)c1C(=O)O
InChIInChI=1S/C8H7BrO3/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyAJXOCFKDIBBTJK-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-hydroxy-2-methylbenzoic acid?
The IUPAC name of 3-bromo-6-hydroxy-2-methylbenzoic acid (CID 11053451) is 3-bromo-6-hydroxy-2-methylbenzoic acid.
What is the SMILES notation for 3-bromo-6-hydroxy-2-methylbenzoic acid?
The canonical SMILES for 3-bromo-6-hydroxy-2-methylbenzoic acid is Cc1c(Br)ccc(O)c1C(=O)O.
What is the InChIKey of 3-bromo-6-hydroxy-2-methylbenzoic acid?
The InChIKey is AJXOCFKDIBBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 3-bromo-6-hydroxy-2-methylbenzoic acid?
3-bromo-6-hydroxy-2-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 3-bromo-6-hydroxy-2-methylbenzoic acid is sourced from PubChem (CID 11053451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).