[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol

C15H20O3S — CID 79922433

IUPAC[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol
SMILESOCc1cccc(SC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H20O3S/c16-10-12-2-1-3-13(8-12)19-14-4-6-18-15(9-14)5-7-17-11-15/h1-3,8,14,16H,4-7,9-11H2
InChIKeyNJCZMGPYBXDTFK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.61
Rot. Bonds3

About [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol

[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol (PubChem CID 79922433) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol
PubChem CID79922433
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol
SMILESOCc1cccc(SC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H20O3S/c16-10-12-2-1-3-13(8-12)19-14-4-6-18-15(9-14)5-7-17-11-15/h1-3,8,14,16H,4-7,9-11H2
InChIKeyNJCZMGPYBXDTFK-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol with MolForge

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Related Compounds

N-[[3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methyl]ethanamine
CID 79906991
[3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)phenyl]methanamine
CID 79922948
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 104590105
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 79911996
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanol
CID 79922560
N-ethyl-1-[3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79906727
2-(3-bromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79913015

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol?
The IUPAC name of [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol (CID 79922433) is [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol is OCc1cccc(SC2CCOC3(CCOC3)C2)c1.
What is the InChIKey of [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol?
The InChIKey is NJCZMGPYBXDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-10-12-2-1-3-13(8-12)19-14-4-6-18-15(9-14)5-7-17-11-15/h1-3,8,14,16H,4-7,9-11H2.
What are the key properties of [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol?
[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 79922433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).