2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol

C18H26O2S — CID 104846100

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
SMILESCC(C1CCOC2(CCSCC2)C1)C(O)c1ccccc1
InChIInChI=1S/C18H26O2S/c1-14(17(19)15-5-3-2-4-6-15)16-7-10-20-18(13-16)8-11-21-12-9-18/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyAIOLTVAFHIMBFZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.05
Rot. Bonds3

About 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol (PubChem CID 104846100) has the molecular formula C18H26O2S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
PubChem CID104846100
Molecular FormulaC18H26O2S
Molecular Weight306.47 g/mol
Exact Mass306.17
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
SMILESCC(C1CCOC2(CCSCC2)C1)C(O)c1ccccc1
InChIInChI=1S/C18H26O2S/c1-14(17(19)15-5-3-2-4-6-15)16-7-10-20-18(13-16)8-11-21-12-9-18/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyAIOLTVAFHIMBFZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
1-(3-bromophenyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79907540
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 79899060

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol (CID 104846100) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol is CC(C1CCOC2(CCSCC2)C1)C(O)c1ccccc1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol?
The InChIKey is AIOLTVAFHIMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2S/c1-14(17(19)15-5-3-2-4-6-15)16-7-10-20-18(13-16)8-11-21-12-9-18/h2-6,14,16-17,19H,7-13H2,1H3.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol has a molecular weight of 306.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 104846100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).