3-bromo-6-methoxy-2,3-dihydroinden-1-one

C10H9BrO2 — CID 23250652

IUPAC3-bromo-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)CC2Br
InChIInChI=1S/C10H9BrO2/c1-13-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9H,5H2,1H3
InChIKeyBGLMTUWFRNGJBN-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-6-methoxy-2,3-dihydroinden-1-one

3-bromo-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 23250652) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-bromo-6-methoxy-2,3-dihydroinden-1-one
PubChem CID23250652
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name3-bromo-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)CC2Br
InChIInChI=1S/C10H9BrO2/c1-13-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9H,5H2,1H3
InChIKeyBGLMTUWFRNGJBN-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-6-methoxy-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

5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158652
9-bromo-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 10032005
8-methoxy-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
CID 66652045
methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 146174124
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetaldehyde
CID 23587254
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
(3S)-3,5-dibromo-2,3-dihydroinden-1-one
CID 86326332
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 3-bromo-6-methoxy-2,3-dihydroinden-1-one (CID 23250652) is 3-bromo-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-bromo-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 3-bromo-6-methoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1)C(=O)CC2Br.
What is the InChIKey of 3-bromo-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is BGLMTUWFRNGJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-13-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4,9H,5H2,1H3.
What are the key properties of 3-bromo-6-methoxy-2,3-dihydroinden-1-one?
3-bromo-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 241.08 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 23250652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).