2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol

C15H20O3 — CID 117373853

IUPAC2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C15H20O3/c1-14(2,16)11-6-7-12-13(10-11)18-15(17-12)8-4-3-5-9-15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyUPOVPJNNEIQQIV-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.35
Rot. Bonds1

About 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol

2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol (PubChem CID 117373853) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol.

Molecular Properties

Compound Name2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
PubChem CID117373853
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C15H20O3/c1-14(2,16)11-6-7-12-13(10-11)18-15(17-12)8-4-3-5-9-15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyUPOVPJNNEIQQIV-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
CID 84685961
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
1-(2,2-dihydroxy-1,3-benzodioxol-5-yl)-2-(trihydroxymethylamino)propane-1,1,2-triol
CID 170710318
2-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylethanol
CID 117294612
ethyl 2-oxo-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetate
CID 117468926
4-oxo-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbutanoic acid
CID 612547
copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
CID 15970108
1-chloro-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propan-2-ol
CID 168641010
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol?
The IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol (CID 117373853) is 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol.
What is the SMILES notation for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol?
The canonical SMILES for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol is CC(C)(O)c1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol?
The InChIKey is UPOVPJNNEIQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,16)11-6-7-12-13(10-11)18-15(17-12)8-4-3-5-9-15/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol?
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol is sourced from PubChem (CID 117373853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).