1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H19FO3S — CID 106992357

IUPAC1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1ccccc1F
InChIInChI=1S/C13H19FO3S/c1-10(7-16-2)17-8-11(15)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMCOIGECHYSWLBH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.33
Rot. Bonds8

About 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992357) has the molecular formula C13H19FO3S and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992357
Molecular FormulaC13H19FO3S
Molecular Weight274.36 g/mol
Exact Mass274.10
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1ccccc1F
InChIInChI=1S/C13H19FO3S/c1-10(7-16-2)17-8-11(15)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMCOIGECHYSWLBH-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
1-(4-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992332
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
1-(2-amino-5-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991017
1-(2-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-(1-methoxypropan-2-yloxy)-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropan-2-ol
CID 106993054
1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63931345
1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 106992487
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992357) is 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is MCOIGECHYSWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3S/c1-10(7-16-2)17-8-11(15)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).