1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol

C16H22O2S2 — CID 79922560

IUPAC1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SC2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C16H22O2S2/c1-12(17)13-3-2-4-14(9-13)20-15-5-7-18-16(10-15)6-8-19-11-16/h2-4,9,12,15,17H,5-8,10-11H2,1H3
InChIKeyMUSQUVQQQQYLKQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.89
Rot. Bonds3

About 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol

1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol (PubChem CID 79922560) has the molecular formula C16H22O2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol
PubChem CID79922560
Molecular FormulaC16H22O2S2
Molecular Weight310.48 g/mol
Exact Mass310.11
IUPAC Name1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SC2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C16H22O2S2/c1-12(17)13-3-2-4-14(9-13)20-15-5-7-18-16(10-15)6-8-19-11-16/h2-4,9,12,15,17H,5-8,10-11H2,1H3
InChIKeyMUSQUVQQQQYLKQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol with MolForge

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Related Compounds

1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanone
CID 79923079
[3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)phenyl]methanamine
CID 79922948
N-ethyl-1-[3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79906727
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 79899060
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)thiophene-2-carboxylic acid
CID 79904240
4-bromo-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)benzoic acid
CID 115381939
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 104590105
2-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)aniline
CID 79906440
N-[1-(3-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895880
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914241
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol (CID 79922560) is 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol is CC(O)c1cccc(SC2CCOC3(CCSC3)C2)c1.
What is the InChIKey of 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol?
The InChIKey is MUSQUVQQQQYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S2/c1-12(17)13-3-2-4-14(9-13)20-15-5-7-18-16(10-15)6-8-19-11-16/h2-4,9,12,15,17H,5-8,10-11H2,1H3.
What are the key properties of 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol?
1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol has a molecular weight of 310.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 79922560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).