2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone

C9H9BrO3 — CID 165349334

IUPAC2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone
SMILESCOC(Br)C(=O)c1ccccc1O
InChIInChI=1S/C9H9BrO3/c1-13-9(10)8(12)6-4-2-3-5-7(6)11/h2-5,9,11H,1H3
InChIKeyVBRGBJXUKPBEDT-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.94
Rot. Bonds3

About 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone

2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone (PubChem CID 165349334) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone
PubChem CID165349334
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone
SMILESCOC(Br)C(=O)c1ccccc1O
InChIInChI=1S/C9H9BrO3/c1-13-9(10)8(12)6-4-2-3-5-7(6)11/h2-5,9,11H,1H3
InChIKeyVBRGBJXUKPBEDT-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-hydroxybenzoate;urea
CID 174888687
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
(2R,3S)-1,5-bis(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-methylpentane-1,5-dione
CID 100976201
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-chloro-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 86032974
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
amino 2-hydroxybenzoate
CID 12598418
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
2-hydroxybenzoic acid;methyl acetate
CID 157381538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone?
The IUPAC name of 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone (CID 165349334) is 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone?
The canonical SMILES for 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone is COC(Br)C(=O)c1ccccc1O.
What is the InChIKey of 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone?
The InChIKey is VBRGBJXUKPBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-13-9(10)8(12)6-4-2-3-5-7(6)11/h2-5,9,11H,1H3.
What are the key properties of 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone?
2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone has a molecular weight of 245.07 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-hydroxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 165349334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).