1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol

C12H17FO2S — CID 79566382

IUPAC1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1cccc(F)c1
InChIInChI=1S/C12H17FO2S/c1-9(2)15-7-11(14)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyCSIDZLRYILUILE-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol

1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol (PubChem CID 79566382) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
PubChem CID79566382
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1cccc(F)c1
InChIInChI=1S/C12H17FO2S/c1-9(2)15-7-11(14)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyCSIDZLRYILUILE-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
CID 64665099
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
3-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]sulfanylbenzonitrile
CID 97244805
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(3-fluorophenyl)sulfanylhept-5-yn-2-ol
CID 104803944
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670816
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
CID 66073097
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(3-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-ol
CID 83175265

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol (CID 79566382) is 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CSc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is CSIDZLRYILUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2S/c1-9(2)15-7-11(14)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol?
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 244.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 79566382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).