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

C13H16O — CID 143977501

IUPAC(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
SMILESC[C@H]1CC[C@@]12CCc1ccc(O)cc12
InChIInChI=1S/C13H16O/c1-9-4-6-13(9)7-5-10-2-3-11(14)8-12(10)13/h2-3,8-9,14H,4-7H2,1H3/t9-,13+/m0/s1
InChIKeyVKYUHXRJFXMPIG-TVQRCGJNSA-N
MW188.27 g/mol
LogP3.01
Rot. Bonds

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

(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol (PubChem CID 143977501) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol.

Molecular Properties

Compound Name(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
PubChem CID143977501
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
SMILESC[C@H]1CC[C@@]12CCc1ccc(O)cc12
InChIInChI=1S/C13H16O/c1-9-4-6-13(9)7-5-10-2-3-11(14)8-12(10)13/h2-3,8-9,14H,4-7H2,1H3/t9-,13+/m0/s1
InChIKeyVKYUHXRJFXMPIG-TVQRCGJNSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol?
The IUPAC name of (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol (CID 143977501) is (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol.
What is the SMILES notation for (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol?
The canonical SMILES for (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol is C[C@H]1CC[C@@]12CCc1ccc(O)cc12.
What is the InChIKey of (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol?
The InChIKey is VKYUHXRJFXMPIG-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H16O/c1-9-4-6-13(9)7-5-10-2-3-11(14)8-12(10)13/h2-3,8-9,14H,4-7H2,1H3/t9-,13+/m0/s1.
What are the key properties of (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol?
(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol has a molecular weight of 188.27 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol is sourced from PubChem (CID 143977501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).