[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol

C11H13FO2S — CID 117035245

IUPAC[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
SMILESCc1cc(SC2(CO)COC2)ccc1F
InChIInChI=1S/C11H13FO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3
InChIKeyQHQOHRHXGQRJSB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.99
Rot. Bonds3

About [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol

[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol (PubChem CID 117035245) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
PubChem CID117035245
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
SMILESCc1cc(SC2(CO)COC2)ccc1F
InChIInChI=1S/C11H13FO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3
InChIKeyQHQOHRHXGQRJSB-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872182
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869440

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The IUPAC name of [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol (CID 117035245) is [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol.
What is the SMILES notation for [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The canonical SMILES for [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol is Cc1cc(SC2(CO)COC2)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The InChIKey is QHQOHRHXGQRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3.
What are the key properties of [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol has a molecular weight of 228.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol is sourced from PubChem (CID 117035245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).