[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol

C12H14O2 — CID 124512943

IUPAC[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
SMILESOC[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C12H14O2/c13-8-9-7-12(9)5-6-14-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2/t9-,12+/m0/s1
InChIKeyMOKSMQCMZYNGAG-JOYOIKCWSA-N
MW190.24 g/mol
LogP1.72
Rot. Bonds1

About [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol

[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol (PubChem CID 124512943) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol.

Molecular Properties

Compound Name[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
PubChem CID124512943
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
SMILESOC[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C12H14O2/c13-8-9-7-12(9)5-6-14-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2/t9-,12+/m0/s1
InChIKeyMOKSMQCMZYNGAG-JOYOIKCWSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol?
The IUPAC name of [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol (CID 124512943) is [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol.
What is the SMILES notation for [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol?
The canonical SMILES for [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol is OC[C@@H]1C[C@]12CCOc1ccccc12.
What is the InChIKey of [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol?
The InChIKey is MOKSMQCMZYNGAG-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-9-7-12(9)5-6-14-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2/t9-,12+/m0/s1.
What are the key properties of [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol?
[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol has a molecular weight of 190.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol is sourced from PubChem (CID 124512943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).