2-bromo-5-hydroxy-2,3-dihydroinden-1-one

C9H7BrO2 — CID 71600332

IUPAC2-bromo-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(O)cc2CC1Br
InChIInChI=1S/C9H7BrO2/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8,11H,4H2
InChIKeyIAKHTBVDMSIMAF-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.89
Rot. Bonds

About 2-bromo-5-hydroxy-2,3-dihydroinden-1-one

2-bromo-5-hydroxy-2,3-dihydroinden-1-one (PubChem CID 71600332) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 2-bromo-5-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-bromo-5-hydroxy-2,3-dihydroinden-1-one
PubChem CID71600332
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name2-bromo-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(O)cc2CC1Br
InChIInChI=1S/C9H7BrO2/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8,11H,4H2
InChIKeyIAKHTBVDMSIMAF-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-hydroxy-2,3-dihydroinden-1-one 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

2-Bromo-1-(4-hydroxyphenyl)ethanone
CID 4964
2-Hydroxyfluoren-9-one
CID 81386
4-Hydroxy-2-methylacetophenone
CID 70133
3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one
CID 10286462
(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 11987846
5-Hydroxy-1-indanone
CID 233147
4-Hydroxy-7-methyl-1-indanone
CID 5005111
2,7-Dihydroxyfluoren-9-one
CID 4354181
6-Hydroxy-1-indanone
CID 7020659
4-Bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-fluoren-3-one
CID 9884138
4-Bromo-7-hydroxy-9a-methyl-1,2,9,9a-tetrahydrofluoren-3-one
CID 9900695
3-Bromo-5-hydroxy-2-(4-hydroxyphenyl)inden-1-one
CID 10215089

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-bromo-5-hydroxy-2,3-dihydroinden-1-one (CID 71600332) is 2-bromo-5-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-bromo-5-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-bromo-5-hydroxy-2,3-dihydroinden-1-one is O=C1c2ccc(O)cc2CC1Br.
What is the InChIKey of 2-bromo-5-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is IAKHTBVDMSIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8,11H,4H2.
What are the key properties of 2-bromo-5-hydroxy-2,3-dihydroinden-1-one?
2-bromo-5-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 227.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 71600332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).