6-bromospiro[1H-indene-3,4'-oxane]-2-one

C13H13BrO2 — CID 58154272

IUPAC6-bromospiro[1H-indene-3,4'-oxane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CCOCC2
InChIInChI=1S/C13H13BrO2/c14-10-1-2-11-9(7-10)8-12(15)13(11)3-5-16-6-4-13/h1-2,7H,3-6,8H2
InChIKeyQQQLFBDSQPMQBH-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.62
Rot. Bonds

About 6-bromospiro[1H-indene-3,4'-oxane]-2-one

6-bromospiro[1H-indene-3,4'-oxane]-2-one (PubChem CID 58154272) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 6-bromospiro[1H-indene-3,4'-oxane]-2-one.

Molecular Properties

Compound Name6-bromospiro[1H-indene-3,4'-oxane]-2-one
PubChem CID58154272
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name6-bromospiro[1H-indene-3,4'-oxane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CCOCC2
InChIInChI=1S/C13H13BrO2/c14-10-1-2-11-9(7-10)8-12(15)13(11)3-5-16-6-4-13/h1-2,7H,3-6,8H2
InChIKeyQQQLFBDSQPMQBH-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromospiro[1H-indene-3,3'-thietane]-2-one
CID 58221476
6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
CID 58154278
6-bromo-3,3-diethyl-1H-inden-2-one
CID 58375843
6-bromospiro[2,4-dihydroisoquinoline-3,4'-oxane]-1-one
CID 175809702
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
(3R)-6-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 124572209
7-fluorospiro[3,4-dihydronaphthalene-1,4'-oxane]-2-one
CID 115010930
(2S)-5-bromospiro[3H-indene-2,3'-oxolane]-1,2'-dione
CID 56642761
4-(4-bromo-2-methylphenyl)oxan-4-ol
CID 171367092
5-bromo-2-methylspiro[isoindole-3,4'-oxane]-1-one
CID 171798154
5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one
CID 177355037
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10869704

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1H-indene-3,4'-oxane]-2-one?
The IUPAC name of 6-bromospiro[1H-indene-3,4'-oxane]-2-one (CID 58154272) is 6-bromospiro[1H-indene-3,4'-oxane]-2-one.
What is the SMILES notation for 6-bromospiro[1H-indene-3,4'-oxane]-2-one?
The canonical SMILES for 6-bromospiro[1H-indene-3,4'-oxane]-2-one is O=C1Cc2cc(Br)ccc2C12CCOCC2.
What is the InChIKey of 6-bromospiro[1H-indene-3,4'-oxane]-2-one?
The InChIKey is QQQLFBDSQPMQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c14-10-1-2-11-9(7-10)8-12(15)13(11)3-5-16-6-4-13/h1-2,7H,3-6,8H2.
What are the key properties of 6-bromospiro[1H-indene-3,4'-oxane]-2-one?
6-bromospiro[1H-indene-3,4'-oxane]-2-one has a molecular weight of 281.15 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1H-indene-3,4'-oxane]-2-one is sourced from PubChem (CID 58154272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).