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

C18H15BrO — CID 58197583

IUPAC6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
SMILESO=C1c2cc(Br)ccc2CC12CCc1ccccc1C2
InChIInChI=1S/C18H15BrO/c19-15-6-5-14-11-18(17(20)16(14)9-15)8-7-12-3-1-2-4-13(12)10-18/h1-6,9H,7-8,10-11H2
InChIKeyNPDFCMNICKTWFJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.36
Rot. Bonds

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

6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one (PubChem CID 58197583) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
PubChem CID58197583
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
SMILESO=C1c2cc(Br)ccc2CC12CCc1ccccc1C2
InChIInChI=1S/C18H15BrO/c19-15-6-5-14-11-18(17(20)16(14)9-15)8-7-12-3-1-2-4-13(12)10-18/h1-6,9H,7-8,10-11H2
InChIKeyNPDFCMNICKTWFJ-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The IUPAC name of 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one (CID 58197583) is 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one.
What is the SMILES notation for 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The canonical SMILES for 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one is O=C1c2cc(Br)ccc2CC12CCc1ccccc1C2.
What is the InChIKey of 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
The InChIKey is NPDFCMNICKTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c19-15-6-5-14-11-18(17(20)16(14)9-15)8-7-12-3-1-2-4-13(12)10-18/h1-6,9H,7-8,10-11H2.
What are the key properties of 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one?
6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one has a molecular weight of 327.22 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 58197583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).