6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one

C17H13BrO2 — CID 58423986

IUPAC6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one
SMILESO=C1CC2(Cc3ccccc3C2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H13BrO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7H,8-10H2
InChIKeyQNNQDZNWVHWNNW-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.95
Rot. Bonds

About 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one

6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one (PubChem CID 58423986) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one.

Molecular Properties

Compound Name6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one
PubChem CID58423986
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one
SMILESO=C1CC2(Cc3ccccc3C2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H13BrO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7H,8-10H2
InChIKeyQNNQDZNWVHWNNW-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1',1',5',5'-tetramethylspiro[3H-chromene-2,3'-cyclohexane]-4-one
CID 114674411
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-bromo-1'-methoxyspiro[3H-chromene-2,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-4-one
CID 58424216
6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 58424743
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
6-bromo-2-methyl-2-(2-phenylethyl)-3H-chromen-4-one
CID 114674210
6-bromo-2'-propylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114674156
6-bromo-4'-propan-2-ylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 114674282
6-bromo-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylic acid
CID 123756935
(E)-6-bromo-N-isocyanospiro[3H-chromene-2,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-4-imine
CID 123218744
7-bromospiro[3H-chromene-2,4'-oxane]-4-one
CID 59898676
6-bromo-1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760349

Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one?
The IUPAC name of 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one (CID 58423986) is 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one.
What is the SMILES notation for 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one?
The canonical SMILES for 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one is O=C1CC2(Cc3ccccc3C2)Oc2ccc(Br)cc21.
What is the InChIKey of 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one?
The InChIKey is QNNQDZNWVHWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7H,8-10H2.
What are the key properties of 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one?
6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one has a molecular weight of 329.19 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one is sourced from PubChem (CID 58423986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).