1-(2-bromophenyl)-2,2-dihydroxyethanone

C8H7BrO3 — CID 14046171

IUPAC1-(2-bromophenyl)-2,2-dihydroxyethanone
SMILESO=C(c1ccccc1Br)C(O)O
InChIInChI=1S/C8H7BrO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,8,11-12H
InChIKeyMRDMUVZDWDVLLQ-UHFFFAOYSA-N
MW231.04 g/mol
LogP0.94
Rot. Bonds2

About 1-(2-bromophenyl)-2,2-dihydroxyethanone

1-(2-bromophenyl)-2,2-dihydroxyethanone (PubChem CID 14046171) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2,2-dihydroxyethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2,2-dihydroxyethanone
PubChem CID14046171
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name1-(2-bromophenyl)-2,2-dihydroxyethanone
SMILESO=C(c1ccccc1Br)C(O)O
InChIInChI=1S/C8H7BrO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,8,11-12H
InChIKeyMRDMUVZDWDVLLQ-UHFFFAOYSA-N
XLogP0.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)-2,2-dihydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
CID 135007088
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
1-(2-bromophenyl)-2-cyclopropylpropan-1-one
CID 101490237
3-(2-bromophenyl)-3-oxo-2-phenylpropanal
CID 52912679
1-(2-bromophenyl)-2-methylpentan-1-one
CID 107891390
2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
CID 155907008
1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromobenzamide;hydrochloride
CID 68911907
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2,2-dihydroxyethanone?
The IUPAC name of 1-(2-bromophenyl)-2,2-dihydroxyethanone (CID 14046171) is 1-(2-bromophenyl)-2,2-dihydroxyethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2,2-dihydroxyethanone?
The canonical SMILES for 1-(2-bromophenyl)-2,2-dihydroxyethanone is O=C(c1ccccc1Br)C(O)O.
What is the InChIKey of 1-(2-bromophenyl)-2,2-dihydroxyethanone?
The InChIKey is MRDMUVZDWDVLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,8,11-12H.
What are the key properties of 1-(2-bromophenyl)-2,2-dihydroxyethanone?
1-(2-bromophenyl)-2,2-dihydroxyethanone has a molecular weight of 231.04 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2,2-dihydroxyethanone is sourced from PubChem (CID 14046171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).