4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one

C14H15BrO — CID 21433537

IUPAC4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESO=C1CCC2(CC1)Cc1cccc(Br)c1C2
InChIInChI=1S/C14H15BrO/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14/h1-3H,4-9H2
InChIKeyFUNZANATVMEFFU-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.68
Rot. Bonds

About 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one

4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (PubChem CID 21433537) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Name4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
PubChem CID21433537
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESO=C1CCC2(CC1)Cc1cccc(Br)c1C2
InChIInChI=1S/C14H15BrO/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14/h1-3H,4-9H2
InChIKeyFUNZANATVMEFFU-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The IUPAC name of 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (CID 21433537) is 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.
What is the SMILES notation for 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The canonical SMILES for 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is O=C1CCC2(CC1)Cc1cccc(Br)c1C2.
What is the InChIKey of 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The InChIKey is FUNZANATVMEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c15-13-3-1-2-10-8-14(9-12(10)13)6-4-11(16)5-7-14/h1-3H,4-9H2.
What are the key properties of 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one has a molecular weight of 279.18 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is sourced from PubChem (CID 21433537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).