1-(2-acetylphenyl)-2-bromoethanone

C10H9BrO2 — CID 10037328

IUPAC1-(2-acetylphenyl)-2-bromoethanone
SMILESCC(=O)c1ccccc1C(=O)CBr
InChIInChI=1S/C10H9BrO2/c1-7(12)8-4-2-3-5-9(8)10(13)6-11/h2-5H,6H2,1H3
InChIKeyOQIIJJWVEFVECF-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-acetylphenyl)-2-bromoethanone

1-(2-acetylphenyl)-2-bromoethanone (PubChem CID 10037328) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 1-(2-acetylphenyl)-2-bromoethanone.

Molecular Properties

Compound Name1-(2-acetylphenyl)-2-bromoethanone
PubChem CID10037328
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name1-(2-acetylphenyl)-2-bromoethanone
SMILESCC(=O)c1ccccc1C(=O)CBr
InChIInChI=1S/C10H9BrO2/c1-7(12)8-4-2-3-5-9(8)10(13)6-11/h2-5H,6H2,1H3
InChIKeyOQIIJJWVEFVECF-UHFFFAOYSA-N
XLogP2.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
CID 161063575
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-1-(2-methylsulfonylphenyl)ethanone;1-(2-iodophenyl)ethanone;1-(2-methylsulfonylphenyl)ethanone
CID 157135194
4-(2-acetylphenyl)-4-oxobutanoic acid
CID 67451977
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
2-bromo-1-(2-propylphenyl)ethanone
CID 22121427
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
(2-acetylphenyl) 2-bromoacetate
CID 58158821

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)-2-bromoethanone?
The IUPAC name of 1-(2-acetylphenyl)-2-bromoethanone (CID 10037328) is 1-(2-acetylphenyl)-2-bromoethanone.
What is the SMILES notation for 1-(2-acetylphenyl)-2-bromoethanone?
The canonical SMILES for 1-(2-acetylphenyl)-2-bromoethanone is CC(=O)c1ccccc1C(=O)CBr.
What is the InChIKey of 1-(2-acetylphenyl)-2-bromoethanone?
The InChIKey is OQIIJJWVEFVECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-7(12)8-4-2-3-5-9(8)10(13)6-11/h2-5H,6H2,1H3.
What are the key properties of 1-(2-acetylphenyl)-2-bromoethanone?
1-(2-acetylphenyl)-2-bromoethanone has a molecular weight of 241.08 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)-2-bromoethanone is sourced from PubChem (CID 10037328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).