2-[(2-methylsulfanylphenyl)methoxy]oxane

C13H18O2S — CID 156806048

IUPAC2-[(2-methylsulfanylphenyl)methoxy]oxane
SMILESCSc1ccccc1COC1CCCCO1
InChIInChI=1S/C13H18O2S/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-3,6-7,13H,4-5,8-10H2,1H3
InChIKeyYSOMHINNJHGWKC-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.45
Rot. Bonds4

About 2-[(2-methylsulfanylphenyl)methoxy]oxane

2-[(2-methylsulfanylphenyl)methoxy]oxane (PubChem CID 156806048) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(2-methylsulfanylphenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-methylsulfanylphenyl)methoxy]oxane
PubChem CID156806048
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-[(2-methylsulfanylphenyl)methoxy]oxane
SMILESCSc1ccccc1COC1CCCCO1
InChIInChI=1S/C13H18O2S/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-3,6-7,13H,4-5,8-10H2,1H3
InChIKeyYSOMHINNJHGWKC-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
CID 54432841
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
2-[(3-methyl-2-nitrophenyl)methoxy]oxane
CID 11622955
2-[dimethyl(oxo)-λ6-sulfanylidene]-2-[2-(oxan-2-yloxymethyl)phenyl]acetonitrile
CID 135068109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylphenyl)methoxy]oxane?
The IUPAC name of 2-[(2-methylsulfanylphenyl)methoxy]oxane (CID 156806048) is 2-[(2-methylsulfanylphenyl)methoxy]oxane.
What is the SMILES notation for 2-[(2-methylsulfanylphenyl)methoxy]oxane?
The canonical SMILES for 2-[(2-methylsulfanylphenyl)methoxy]oxane is CSc1ccccc1COC1CCCCO1.
What is the InChIKey of 2-[(2-methylsulfanylphenyl)methoxy]oxane?
The InChIKey is YSOMHINNJHGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-3,6-7,13H,4-5,8-10H2,1H3.
What are the key properties of 2-[(2-methylsulfanylphenyl)methoxy]oxane?
2-[(2-methylsulfanylphenyl)methoxy]oxane has a molecular weight of 238.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylphenyl)methoxy]oxane is sourced from PubChem (CID 156806048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).