3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol

C20H25FO2S — CID 59109017

IUPAC3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol
SMILESCOCc1cccc(Cc2cc(F)ccc2SCC(C)(C)CO)c1
InChIInChI=1S/C20H25FO2S/c1-20(2,13-22)14-24-19-8-7-18(21)11-17(19)10-15-5-4-6-16(9-15)12-23-3/h4-9,11,22H,10,12-14H2,1-3H3
InChIKeyGHUNAARNZODJBE-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.67
Rot. Bonds8

About 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol

3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol (PubChem CID 59109017) has the molecular formula C20H25FO2S and a molecular weight of 348.48 g/mol. Its IUPAC name is 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol
PubChem CID59109017
Molecular FormulaC20H25FO2S
Molecular Weight348.48 g/mol
Exact Mass348.16
IUPAC Name3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol
SMILESCOCc1cccc(Cc2cc(F)ccc2SCC(C)(C)CO)c1
InChIInChI=1S/C20H25FO2S/c1-20(2,13-22)14-24-19-8-7-18(21)11-17(19)10-15-5-4-6-16(9-15)12-23-3/h4-9,11,22H,10,12-14H2,1-3H3
InChIKeyGHUNAARNZODJBE-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968616
Hnn7HX2xal
CID 11200929
(2R,3S)-2-(2-Fluorophenyl)-3-(phenylthio)tetrahydro-2H-pyran
CID 85090299
1-Fluoro-4-[methoxy(phenyl)methyl]sulfanylbenzene
CID 102287417
2-(Hydroxyethyl) phenyl sulfide
CID 66735686
[2-(4-Fluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 12275537
8-Ethyl-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-ol
CID 15581165
[2-[2-Butyl-2-(hydroxymethyl)hexyl]sulfanyl-5-fluorophenyl]-[3-(methoxymethyl)phenyl]methanone
CID 20728367
2-Butyl-2-[[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanylmethyl]hexan-1-ol
CID 20728379
2-Butyl-2-[[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanylmethyl]hexanal
CID 20728380
(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-en-1-ol
CID 21310367
2-Butyl-2-[[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfanylmethyl]hexan-1-ol
CID 22325199

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol (CID 59109017) is 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol is COCc1cccc(Cc2cc(F)ccc2SCC(C)(C)CO)c1.
What is the InChIKey of 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol?
The InChIKey is GHUNAARNZODJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO2S/c1-20(2,13-22)14-24-19-8-7-18(21)11-17(19)10-15-5-4-6-16(9-15)12-23-3/h4-9,11,22H,10,12-14H2,1-3H3.
What are the key properties of 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol?
3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol has a molecular weight of 348.48 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-[[3-(methoxymethyl)phenyl]methyl]phenyl]sulfanyl-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 59109017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).