1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol

C17H16FN3O2S — CID 110885759

IUPAC1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol
SMILESCOc1ccc(-c2nc(SCC(O)c3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(21-20-16)24-10-15(22)13-4-2-3-5-14(13)18/h2-9,15,22H,10H2,1H3,(H,19,20,21)
InChIKeyOOGMUUUKHQASGN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol

1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol (PubChem CID 110885759) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol
PubChem CID110885759
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol
SMILESCOc1ccc(-c2nc(SCC(O)c3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(21-20-16)24-10-15(22)13-4-2-3-5-14(13)18/h2-9,15,22H,10H2,1H3,(H,19,20,21)
InChIKeyOOGMUUUKHQASGN-UHFFFAOYSA-N
XLogP3.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol with MolForge

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Related Compounds

(1R)-1-(2-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 97218588
1-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 112796264
3-ethylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896768
3-[(4-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 972683
1-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 7896774
3-benzhydrylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7906363
3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 877303
1-(3,4-difluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7896527
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7896522
[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanol
CID 110005221
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9458841
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7901436

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol (CID 110885759) is 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol is COc1ccc(-c2nc(SCC(O)c3ccccc3F)n[nH]2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The InChIKey is OOGMUUUKHQASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(21-20-16)24-10-15(22)13-4-2-3-5-14(13)18/h2-9,15,22H,10H2,1H3,(H,19,20,21).
What are the key properties of 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol?
1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol has a molecular weight of 345.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol is sourced from PubChem (CID 110885759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).