4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol

C15H20O3S — CID 79911996

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
SMILESOc1ccc(SC2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C15H20O3S/c16-12-1-3-13(4-2-12)19-14-5-8-18-15(11-14)6-9-17-10-7-15/h1-4,14,16H,5-11H2
InChIKeyRHKHROMDICPNHG-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.21
Rot. Bonds2

About 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol

4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol (PubChem CID 79911996) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
PubChem CID79911996
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
SMILESOc1ccc(SC2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C15H20O3S/c16-12-1-3-13(4-2-12)19-14-5-8-18-15(11-14)6-9-17-10-7-15/h1-4,14,16H,5-11H2
InChIKeyRHKHROMDICPNHG-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol with MolForge

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Related Compounds

3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 104590105
4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)benzoic acid
CID 79904708
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyrimidine-4,6-diamine
CID 79905350
1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79923080
[3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)phenyl]methanol
CID 79922433
6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine
CID 79905560
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-fluoroaniline
CID 79906293
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-5-methylaniline
CID 79906435
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanone
CID 79923079
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methoxyaniline
CID 79902891
[2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 79901182
[5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630436

Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol (CID 79911996) is 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol is Oc1ccc(SC2CCOC3(CCOCC3)C2)cc1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol?
The InChIKey is RHKHROMDICPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-12-1-3-13(4-2-12)19-14-5-8-18-15(11-14)6-9-17-10-7-15/h1-4,14,16H,5-11H2.
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol?
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol has a molecular weight of 280.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol is sourced from PubChem (CID 79911996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).