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

C17H24O2S — CID 79901777

IUPAC1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESCc1ccccc1C(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c1-13-5-3-4-6-15(13)16(2,18)14-7-9-19-17(11-14)8-10-20-12-17/h3-6,14,18H,7-12H2,1-2H3
InChIKeyISVGCTXFQOYICY-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.50
Rot. Bonds2

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

1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79901777) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
PubChem CID79901777
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESCc1ccccc1C(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O2S/c1-13-5-3-4-6-15(13)16(2,18)14-7-9-19-17(11-14)8-10-20-12-17/h3-6,14,18H,7-12H2,1-2H3
InChIKeyISVGCTXFQOYICY-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.50
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
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
N-(2-tert-butylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900190
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 114872541
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79907792
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
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
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-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (CID 79901777) is 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is Cc1ccccc1C(C)(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is ISVGCTXFQOYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-13-5-3-4-6-15(13)16(2,18)14-7-9-19-17(11-14)8-10-20-12-17/h3-6,14,18H,7-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 292.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79901777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).