3-hydroxy-2-methylbenzoyl bromide

C8H7BrO2 — CID 141077853

IUPAC3-hydroxy-2-methylbenzoyl bromide
SMILESCc1c(O)cccc1C(=O)Br
InChIInChI=1S/C8H7BrO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3
InChIKeyCDNDOHRFDLJNCZ-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.24
Rot. Bonds1

About 3-hydroxy-2-methylbenzoyl bromide

3-hydroxy-2-methylbenzoyl bromide (PubChem CID 141077853) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 3-hydroxy-2-methylbenzoyl bromide.

Molecular Properties

Compound Name3-hydroxy-2-methylbenzoyl bromide
PubChem CID141077853
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name3-hydroxy-2-methylbenzoyl bromide
SMILESCc1c(O)cccc1C(=O)Br
InChIInChI=1S/C8H7BrO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3
InChIKeyCDNDOHRFDLJNCZ-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybenzoyl bromide
CID 141115203
2-(3-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117278222
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-methylbenzene-1,3-diol
CID 139200813
3-hydroxy-N',N',2-trimethylbenzohydrazide
CID 83017028
ethane;3-hydroxy-2-methylbenzoic acid;prop-1-ene
CID 143312363
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylbenzoyl bromide?
The IUPAC name of 3-hydroxy-2-methylbenzoyl bromide (CID 141077853) is 3-hydroxy-2-methylbenzoyl bromide.
What is the SMILES notation for 3-hydroxy-2-methylbenzoyl bromide?
The canonical SMILES for 3-hydroxy-2-methylbenzoyl bromide is Cc1c(O)cccc1C(=O)Br.
What is the InChIKey of 3-hydroxy-2-methylbenzoyl bromide?
The InChIKey is CDNDOHRFDLJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-5-6(8(9)11)3-2-4-7(5)10/h2-4,10H,1H3.
What are the key properties of 3-hydroxy-2-methylbenzoyl bromide?
3-hydroxy-2-methylbenzoyl bromide has a molecular weight of 215.05 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylbenzoyl bromide is sourced from PubChem (CID 141077853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).