[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol

C12H13BrO — CID 124572310

IUPAC[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
SMILESOC[C@H]1C[C@@]12CCc1cc(Br)ccc12
InChIInChI=1S/C12H13BrO/c13-10-1-2-11-8(5-10)3-4-12(11)6-9(12)7-14/h1-2,5,9,14H,3-4,6-7H2/t9-,12+/m1/s1
InChIKeyJSXGHVATEHWLOG-SKDRFNHKSA-N
MW253.14 g/mol
LogP2.65
Rot. Bonds1

About [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol

[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol (PubChem CID 124572310) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol.

Molecular Properties

Compound Name[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
PubChem CID124572310
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
SMILESOC[C@H]1C[C@@]12CCc1cc(Br)ccc12
InChIInChI=1S/C12H13BrO/c13-10-1-2-11-8(5-10)3-4-12(11)6-9(12)7-14/h1-2,5,9,14H,3-4,6-7H2/t9-,12+/m1/s1
InChIKeyJSXGHVATEHWLOG-SKDRFNHKSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol?
The IUPAC name of [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol (CID 124572310) is [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol.
What is the SMILES notation for [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol?
The canonical SMILES for [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol is OC[C@H]1C[C@@]12CCc1cc(Br)ccc12.
What is the InChIKey of [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol?
The InChIKey is JSXGHVATEHWLOG-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H13BrO/c13-10-1-2-11-8(5-10)3-4-12(11)6-9(12)7-14/h1-2,5,9,14H,3-4,6-7H2/t9-,12+/m1/s1.
What are the key properties of [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol?
[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol has a molecular weight of 253.14 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol is sourced from PubChem (CID 124572310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).