1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol

C17H19FO2S — CID 86099894

IUPAC1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol
SMILESCC(O)(COCc1ccccc1)CSc1ccc(F)cc1
InChIInChI=1S/C17H19FO2S/c1-17(19,12-20-11-14-5-3-2-4-6-14)13-21-16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3
InChIKeySPPNQVSLUJNQKD-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.89
Rot. Bonds7

About 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol

1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol (PubChem CID 86099894) has the molecular formula C17H19FO2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol
PubChem CID86099894
Molecular FormulaC17H19FO2S
Molecular Weight306.40 g/mol
Exact Mass306.11
IUPAC Name1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol
SMILESCC(O)(COCc1ccccc1)CSc1ccc(F)cc1
InChIInChI=1S/C17H19FO2S/c1-17(19,12-20-11-14-5-3-2-4-6-14)13-21-16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3
InChIKeySPPNQVSLUJNQKD-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Fluorophenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
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1-Heptylsulfanyl-3-trityloxy-propan-2-ol
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2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
CID 54612775
(2R,3S)-2-(2-Fluorophenyl)-3-(phenylthio)tetrahydro-2H-pyran
CID 85090299
1-Fluoro-4-[methoxy(phenyl)methyl]sulfanylbenzene
CID 102287417
2-Phenyl-2-{1,1,2-trifluoro-2-[(p-tolyl)sulfanyl]ethyl}-1,3-dioxolane
CID 172052528
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
1-Phenylmethoxy-3-phenylsulfanylpropan-2-ol
CID 11300310
{[2-(Benzenesulfinyl)ethoxy]methyl}benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol (CID 86099894) is 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol is CC(O)(COCc1ccccc1)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol?
The InChIKey is SPPNQVSLUJNQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2S/c1-17(19,12-20-11-14-5-3-2-4-6-14)13-21-16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol?
1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol has a molecular weight of 306.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-2-methyl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 86099894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).