[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol

C13H17FO2S — CID 139575685

IUPAC[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol
SMILESCc1ccc(SC2CC(F)CC(CO)O2)cc1
InChIInChI=1S/C13H17FO2S/c1-9-2-4-12(5-3-9)17-13-7-10(14)6-11(8-15)16-13/h2-5,10-11,13,15H,6-8H2,1H3
InChIKeyGJWWNYWRIZWBLH-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.92
Rot. Bonds3

About [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol

[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol (PubChem CID 139575685) has the molecular formula C13H17FO2S and a molecular weight of 256.34 g/mol. Its IUPAC name is [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol
PubChem CID139575685
Molecular FormulaC13H17FO2S
Molecular Weight256.34 g/mol
Exact Mass256.09
IUPAC Name[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol
SMILESCc1ccc(SC2CC(F)CC(CO)O2)cc1
InChIInChI=1S/C13H17FO2S/c1-9-2-4-12(5-3-9)17-13-7-10(14)6-11(8-15)16-13/h2-5,10-11,13,15H,6-8H2,1H3
InChIKeyGJWWNYWRIZWBLH-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258403
2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258413
2-(methoxymethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258426
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(2R,3S,4S,5S,6R)-2-(Benzylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53324146
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
(1R,2S,5R)-2-(4-methylphenyl)sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 155562617
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
trans-(1R,2R)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 11031949
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 14936917

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol?
The IUPAC name of [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol (CID 139575685) is [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol.
What is the SMILES notation for [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol?
The canonical SMILES for [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol is Cc1ccc(SC2CC(F)CC(CO)O2)cc1.
What is the InChIKey of [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol?
The InChIKey is GJWWNYWRIZWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2S/c1-9-2-4-12(5-3-9)17-13-7-10(14)6-11(8-15)16-13/h2-5,10-11,13,15H,6-8H2,1H3.
What are the key properties of [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol?
[4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol has a molecular weight of 256.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol is sourced from PubChem (CID 139575685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).