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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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).