9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

C15H20O2S — CID 79923057

IUPAC9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C15H20O2S/c1-12-2-4-13(5-3-12)17-14-6-8-16-15(10-14)7-9-18-11-15/h2-5,14H,6-11H2,1H3
InChIKeyQJKHFBQTFORLRB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.43
Rot. Bonds2

About 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79923057) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79923057
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C15H20O2S/c1-12-2-4-13(5-3-12)17-14-6-8-16-15(10-14)7-9-18-11-15/h2-5,14H,6-11H2,1H3
InChIKeyQJKHFBQTFORLRB-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79907628
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
CID 79900572
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
9-[4-(3-chloroprop-1-ynyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79907895
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617
4-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898978
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (CID 79923057) is 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is Cc1ccc(OC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is QJKHFBQTFORLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-12-2-4-13(5-3-12)17-14-6-8-16-15(10-14)7-9-18-11-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 264.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79923057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).