5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one

C16H12BrFO2 — CID 107684074

IUPAC5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCc3cccc(F)c3Br)ccc21
InChIInChI=1S/C16H12BrFO2/c17-16-11(2-1-3-14(16)18)9-20-12-5-6-13-10(8-12)4-7-15(13)19/h1-3,5-6,8H,4,7,9H2
InChIKeyHHABVOXYDUGOQD-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.30
Rot. Bonds3

About 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one

5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 107684074) has the molecular formula C16H12BrFO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID107684074
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
Exact Mass334.00
IUPAC Name5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCc3cccc(F)c3Br)ccc21
InChIInChI=1S/C16H12BrFO2/c17-16-11(2-1-3-14(16)18)9-20-12-5-6-13-10(8-12)4-7-15(13)19/h1-3,5-6,8H,4,7,9H2
InChIKeyHHABVOXYDUGOQD-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114849263
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684192
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
5-[(3-nitrophenyl)methoxy]-2,3-dihydroinden-1-one
CID 104982102
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
N-fluoro-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 143296533

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one (CID 107684074) is 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one is O=C1CCc2cc(OCc3cccc(F)c3Br)ccc21.
What is the InChIKey of 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is HHABVOXYDUGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2/c17-16-11(2-1-3-14(16)18)9-20-12-5-6-13-10(8-12)4-7-15(13)19/h1-3,5-6,8H,4,7,9H2.
What are the key properties of 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 335.17 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).