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

C17H24O3S — CID 79909956

IUPAC2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESCOc1ccccc1CC(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O3S/c1-19-16-5-3-2-4-13(16)10-15(18)14-6-8-20-17(11-14)7-9-21-12-17/h2-5,14-15,18H,6-12H2,1H3
InChIKeyCSWNTJRPLCVALD-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.90
Rot. Bonds4

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

2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79909956) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
PubChem CID79909956
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
SMILESCOc1ccccc1CC(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O3S/c1-19-16-5-3-2-4-13(16)10-15(18)14-6-8-20-17(11-14)7-9-21-12-17/h2-5,14-15,18H,6-12H2,1H3
InChIKeyCSWNTJRPLCVALD-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
[2-(2-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105209506
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol (CID 79909956) is 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is COc1ccccc1CC(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is CSWNTJRPLCVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c1-19-16-5-3-2-4-13(16)10-15(18)14-6-8-20-17(11-14)7-9-21-12-17/h2-5,14-15,18H,6-12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol?
2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 308.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79909956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).