(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol

C12H14O — CID 89082538

IUPAC(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
SMILESC[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C12H14O/c1-8-7-12(8)5-4-9-2-3-10(13)6-11(9)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-,12-/m1/s1
InChIKeyRJFLXTWIOLORPI-PRHODGIISA-N
MW174.24 g/mol
LogP2.62
Rot. Bonds

About (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol

(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol (PubChem CID 89082538) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol.

Molecular Properties

Compound Name(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
PubChem CID89082538
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
SMILESC[C@@H]1C[C@]12CCc1ccc(O)cc12
InChIInChI=1S/C12H14O/c1-8-7-12(8)5-4-9-2-3-10(13)6-11(9)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-,12-/m1/s1
InChIKeyRJFLXTWIOLORPI-PRHODGIISA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol?
The IUPAC name of (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol (CID 89082538) is (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol.
What is the SMILES notation for (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol?
The canonical SMILES for (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol is C[C@@H]1C[C@]12CCc1ccc(O)cc12.
What is the InChIKey of (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol?
The InChIKey is RJFLXTWIOLORPI-PRHODGIISA-N. The full InChI is InChI=1S/C12H14O/c1-8-7-12(8)5-4-9-2-3-10(13)6-11(9)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-,12-/m1/s1.
What are the key properties of (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol?
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol has a molecular weight of 174.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol is sourced from PubChem (CID 89082538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).