methyl 6-bromo-3-hydroxy-2-methylbenzoate

C9H9BrO3 — CID 77058981

IUPACmethyl 6-bromo-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(O)c1C
InChIInChI=1S/C9H9BrO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3
InChIKeyHKSCERDOOWLXTJ-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.25
Rot. Bonds1

About methyl 6-bromo-3-hydroxy-2-methylbenzoate

methyl 6-bromo-3-hydroxy-2-methylbenzoate (PubChem CID 77058981) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is methyl 6-bromo-3-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 6-bromo-3-hydroxy-2-methylbenzoate
PubChem CID77058981
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Namemethyl 6-bromo-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1c(Br)ccc(O)c1C
InChIInChI=1S/C9H9BrO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3
InChIKeyHKSCERDOOWLXTJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
methyl 6-bromo-2-methyl-3-nitrobenzoate
CID 58919616
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
methyl 2-amino-6-bromo-3-methylbenzoate
CID 60836124
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methyl 6-bromo-3-(2,2-difluoroethoxy)-2-methylbenzoate
CID 171369237
methyl 2,6-dibromo-3-fluorobenzoate
CID 121228063
methyl 5-bromo-1H-indole-4-carboxylate
CID 71045794
methyl 3-bromo-2-iodo-6-methylbenzoate
CID 171033899
methyl 2,6-dibromo-3,5-dihydroxybenzoate
CID 2748027
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-hydroxy-2-methylbenzoate?
The IUPAC name of methyl 6-bromo-3-hydroxy-2-methylbenzoate (CID 77058981) is methyl 6-bromo-3-hydroxy-2-methylbenzoate.
What is the SMILES notation for methyl 6-bromo-3-hydroxy-2-methylbenzoate?
The canonical SMILES for methyl 6-bromo-3-hydroxy-2-methylbenzoate is COC(=O)c1c(Br)ccc(O)c1C.
What is the InChIKey of methyl 6-bromo-3-hydroxy-2-methylbenzoate?
The InChIKey is HKSCERDOOWLXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3.
What are the key properties of methyl 6-bromo-3-hydroxy-2-methylbenzoate?
methyl 6-bromo-3-hydroxy-2-methylbenzoate has a molecular weight of 245.07 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-hydroxy-2-methylbenzoate is sourced from PubChem (CID 77058981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).