2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol

C17H24O2S — CID 79900359

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c1-16(18,11-14-5-3-2-4-6-14)15-7-9-19-17(12-15)8-10-20-13-17/h2-6,15,18H,7-13H2,1H3
InChIKeyRRKMACPCRYARDI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.28
Rot. Bonds3

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol

2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol (PubChem CID 79900359) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
PubChem CID79900359
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c1-16(18,11-14-5-3-2-4-6-14)15-7-9-19-17(12-15)8-10-20-13-17/h2-6,15,18H,7-13H2,1H3
InChIKeyRRKMACPCRYARDI-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
CID 104656218
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 114872541
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79907628
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol (CID 79900359) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol is CC(O)(Cc1ccccc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol?
The InChIKey is RRKMACPCRYARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-16(18,11-14-5-3-2-4-6-14)15-7-9-19-17(12-15)8-10-20-13-17/h2-6,15,18H,7-13H2,1H3.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol?
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol has a molecular weight of 292.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol is sourced from PubChem (CID 79900359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).