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

C16H22O2S — CID 79899148

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22O2S/c1-15(17,13-5-3-2-4-6-13)14-7-9-18-16(11-14)8-10-19-12-16/h2-6,14,17H,7-12H2,1H3
InChIKeyDOQCSWSVJANTSG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.20
Rot. Bonds2

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

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol (PubChem CID 79899148) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
PubChem CID79899148
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22O2S/c1-15(17,13-5-3-2-4-6-13)14-7-9-18-16(11-14)8-10-19-12-16/h2-6,14,17H,7-12H2,1H3
InChIKeyDOQCSWSVJANTSG-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 114872541
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(3-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79899151
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
CID 104656218

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol (CID 79899148) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol is CC(O)(c1ccccc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol?
The InChIKey is DOQCSWSVJANTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-15(17,13-5-3-2-4-6-13)14-7-9-18-16(11-14)8-10-19-12-16/h2-6,14,17H,7-12H2,1H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol has a molecular weight of 278.42 g/mol, XLogP of 3.20, 2 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)-1-phenylethanol is sourced from PubChem (CID 79899148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).