2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane

C14H19FO2S — CID 18729283

IUPAC2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
SMILESCOC1C(C)C(C)OC(F)C1Sc1ccccc1
InChIInChI=1S/C14H19FO2S/c1-9-10(2)17-14(15)13(12(9)16-3)18-11-7-5-4-6-8-11/h4-10,12-14H,1-3H3
InChIKeyKBOSYKSYBNDJBU-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.51
Rot. Bonds3

About 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane

2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane (PubChem CID 18729283) has the molecular formula C14H19FO2S and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
PubChem CID18729283
Molecular FormulaC14H19FO2S
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Name2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
SMILESCOC1C(C)C(C)OC(F)C1Sc1ccccc1
InChIInChI=1S/C14H19FO2S/c1-9-10(2)17-14(15)13(12(9)16-3)18-11-7-5-4-6-8-11/h4-10,12-14H,1-3H3
InChIKeyKBOSYKSYBNDJBU-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
2-(4-Methylphenyl)sulfanyloxane
CID 10104512
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxane-3-carbaldehyde
CID 18729299
6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol
CID 18729300
4-[(2-Fluorobenzenesulfonyl)methyl]oxane
CID 64417454
(1-Ethoxy-1-fluoro-3-methoxypentan-2-yl)sulfanylbenzene
CID 71228386
(4-Fluorophenyl)-methyl-(oxan-2-yl)sulfanium
CID 87123926
(2-Fluorophenyl)-methyl-(oxan-2-yl)sulfanium
CID 87124131
(3-Fluorophenyl)-methyl-(oxan-2-yl)sulfanium
CID 87124137

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane?
The IUPAC name of 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane (CID 18729283) is 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane.
What is the SMILES notation for 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane?
The canonical SMILES for 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane is COC1C(C)C(C)OC(F)C1Sc1ccccc1.
What is the InChIKey of 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane?
The InChIKey is KBOSYKSYBNDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2S/c1-9-10(2)17-14(15)13(12(9)16-3)18-11-7-5-4-6-8-11/h4-10,12-14H,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane?
2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane has a molecular weight of 270.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane is sourced from PubChem (CID 18729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).