2-bromo-4-methoxy-2,3-dihydroinden-1-one

C10H9BrO2 — CID 82024143

IUPAC2-bromo-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(Br)C2=O
InChIInChI=1S/C10H9BrO2/c1-13-9-4-2-3-6-7(9)5-8(11)10(6)12/h2-4,8H,5H2,1H3
InChIKeyCTAUMDWPIGQQQJ-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.20
Rot. Bonds1

About 2-bromo-4-methoxy-2,3-dihydroinden-1-one

2-bromo-4-methoxy-2,3-dihydroinden-1-one (PubChem CID 82024143) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-bromo-4-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-bromo-4-methoxy-2,3-dihydroinden-1-one
PubChem CID82024143
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name2-bromo-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(Br)C2=O
InChIInChI=1S/C10H9BrO2/c1-13-9-4-2-3-6-7(9)5-8(11)10(6)12/h2-4,8H,5H2,1H3
InChIKeyCTAUMDWPIGQQQJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
2-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007
4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 84637843
5-methoxy-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 175226392
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
9-methoxy-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886840
5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
CID 66651992
4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
CID 82076967
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-bromo-4-methoxy-2,3-dihydroinden-1-one (CID 82024143) is 2-bromo-4-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-bromo-4-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-bromo-4-methoxy-2,3-dihydroinden-1-one is COc1cccc2c1CC(Br)C2=O.
What is the InChIKey of 2-bromo-4-methoxy-2,3-dihydroinden-1-one?
The InChIKey is CTAUMDWPIGQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-13-9-4-2-3-6-7(9)5-8(11)10(6)12/h2-4,8H,5H2,1H3.
What are the key properties of 2-bromo-4-methoxy-2,3-dihydroinden-1-one?
2-bromo-4-methoxy-2,3-dihydroinden-1-one has a molecular weight of 241.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 82024143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).