2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol

C17H22O2S — CID 105112802

IUPAC2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(C1CCOC2(CCC2)C1)C1Cc2ccccc2S1
InChIInChI=1S/C17H22O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,13,15-16,18H,3,6-11H2
InChIKeyQGHNEADSYVWIOD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.41
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol

2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 105112802) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID105112802
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(C1CCOC2(CCC2)C1)C1Cc2ccccc2S1
InChIInChI=1S/C17H22O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,13,15-16,18H,3,6-11H2
InChIKeyQGHNEADSYVWIOD-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
3,4-dihydro-2H-chromen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79910801
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
(3-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115380927
7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79910009
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
(2-methyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819651

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 105112802) is 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(C1CCOC2(CCC2)C1)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is QGHNEADSYVWIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c18-16(13-6-9-19-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)20-15/h1-2,4-5,13,15-16,18H,3,6-11H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol?
2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 290.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 105112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).