1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol

C17H24O3S — CID 79899060

IUPAC1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
SMILESCC(O)c1cccc(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C17H24O3S/c1-13(18)14-3-2-4-15(11-14)20-16-5-8-19-17(12-16)6-9-21-10-7-17/h2-4,11,13,16,18H,5-10,12H2,1H3
InChIKeyKEMSPQGVNGNXCK-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.56
Rot. Bonds3

About 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol

1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol (PubChem CID 79899060) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
PubChem CID79899060
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
SMILESCC(O)c1cccc(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C17H24O3S/c1-13(18)14-3-2-4-15(11-14)20-16-5-8-19-17(12-16)6-9-21-10-7-17/h2-4,11,13,16,18H,5-10,12H2,1H3
InChIKeyKEMSPQGVNGNXCK-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617
1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol
CID 79922560
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The IUPAC name of 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol (CID 79899060) is 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol is CC(O)c1cccc(OC2CCOC3(CCSCC3)C2)c1.
What is the InChIKey of 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The InChIKey is KEMSPQGVNGNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c1-13(18)14-3-2-4-15(11-14)20-16-5-8-19-17(12-16)6-9-21-10-7-17/h2-4,11,13,16,18H,5-10,12H2,1H3.
What are the key properties of 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol has a molecular weight of 308.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol is sourced from PubChem (CID 79899060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).