2-(2-phenylsulfanylprop-2-enoxy)oxane

C14H18O2S — CID 24973546

IUPAC2-(2-phenylsulfanylprop-2-enoxy)oxane
SMILESC=C(COC1CCCCO1)Sc1ccccc1
InChIInChI=1S/C14H18O2S/c1-12(17-13-7-3-2-4-8-13)11-16-14-9-5-6-10-15-14/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyDTHPLAUERHBEDS-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-phenylsulfanylprop-2-enoxy)oxane

2-(2-phenylsulfanylprop-2-enoxy)oxane (PubChem CID 24973546) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-phenylsulfanylprop-2-enoxy)oxane.

Molecular Properties

Compound Name2-(2-phenylsulfanylprop-2-enoxy)oxane
PubChem CID24973546
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name2-(2-phenylsulfanylprop-2-enoxy)oxane
SMILESC=C(COC1CCCCO1)Sc1ccccc1
InChIInChI=1S/C14H18O2S/c1-12(17-13-7-3-2-4-8-13)11-16-14-9-5-6-10-15-14/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyDTHPLAUERHBEDS-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[(2E,6E)-3,7-dimethyl-8-phenylsulfanyl-octa-2,6-dienoxy]tetrahydropyran
CID 12116733
2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran
CID 361790
2-[3-(2,4-Difluorophenyl)sulfanylpropoxy]oxane
CID 57663225
2-(3-Phenylsulfanylprop-2-ynoxy)oxane
CID 10868655
2-{[5-Methoxy-5-(phenylsulfanyl)pentyl]oxy}oxane
CID 13215970
2-[(Z)-3-iodo-3-phenylsulfanylprop-2-enoxy]oxane
CID 14789931
[(E)-4,4-dimethoxybut-2-enyl]sulfanylbenzene
CID 14890214
2-[(E)-3-iodo-3-phenylsulfanylprop-2-enoxy]oxane
CID 25136199
[5-(Ethoxymethoxy)cyclopenten-1-yl]sulfanylbenzene
CID 86034408
[6-(Ethoxymethoxy)cyclohexen-1-yl]sulfanylbenzene
CID 86034417

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylprop-2-enoxy)oxane?
The IUPAC name of 2-(2-phenylsulfanylprop-2-enoxy)oxane (CID 24973546) is 2-(2-phenylsulfanylprop-2-enoxy)oxane.
What is the SMILES notation for 2-(2-phenylsulfanylprop-2-enoxy)oxane?
The canonical SMILES for 2-(2-phenylsulfanylprop-2-enoxy)oxane is C=C(COC1CCCCO1)Sc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylprop-2-enoxy)oxane?
The InChIKey is DTHPLAUERHBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-12(17-13-7-3-2-4-8-13)11-16-14-9-5-6-10-15-14/h2-4,7-8,14H,1,5-6,9-11H2.
What are the key properties of 2-(2-phenylsulfanylprop-2-enoxy)oxane?
2-(2-phenylsulfanylprop-2-enoxy)oxane has a molecular weight of 250.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylprop-2-enoxy)oxane is sourced from PubChem (CID 24973546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).