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

C16H22O2S — CID 79913679

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h1-5,14-15,17H,6-12H2
InChIKeyNBIYYKCRWOXXRJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.89
Rot. Bonds3

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

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol (PubChem CID 79913679) 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)-2-phenylethanol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
PubChem CID79913679
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h1-5,14-15,17H,6-12H2
InChIKeyNBIYYKCRWOXXRJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79909956
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
CID 79922366
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79914473
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-3-ylethanamine
CID 79914836
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol (CID 79913679) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol is OC(Cc1ccccc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol?
The InChIKey is NBIYYKCRWOXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h1-5,14-15,17H,6-12H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol has a molecular weight of 278.42 g/mol, XLogP of 2.89, 3 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)-2-phenylethanol is sourced from PubChem (CID 79913679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).