1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol

C17H24O2S — CID 79913037

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c18-16(7-6-14-4-2-1-3-5-14)15-8-10-19-17(12-15)9-11-20-13-17/h1-5,15-16,18H,6-13H2
InChIKeyJZFJCHIPXKECJY-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.28
Rot. Bonds4

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol (PubChem CID 79913037) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
PubChem CID79913037
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c18-16(7-6-14-4-2-1-3-5-14)15-8-10-19-17(12-15)9-11-20-13-17/h1-5,15-16,18H,6-13H2
InChIKeyJZFJCHIPXKECJY-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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)-2-phenylethanol
CID 79913679
2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79909956
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-amine
CID 105170669
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
CID 105116440
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol (CID 79913037) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol?
The InChIKey is JZFJCHIPXKECJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c18-16(7-6-14-4-2-1-3-5-14)15-8-10-19-17(12-15)9-11-20-13-17/h1-5,15-16,18H,6-13H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol has a molecular weight of 292.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 79913037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).