1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol

C14H18FN3O2S — CID 111629906

IUPAC1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
SMILESCOCCn1cnnc1SCC(O)c1ccc(F)cc1C
InChIInChI=1S/C14H18FN3O2S/c1-10-7-11(15)3-4-12(10)13(19)8-21-14-17-16-9-18(14)5-6-20-2/h3-4,7,9,13,19H,5-6,8H2,1-2H3
InChIKeyMNUFXVXCWCQECQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.20
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol (PubChem CID 111629906) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
PubChem CID111629906
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
SMILESCOCCn1cnnc1SCC(O)c1ccc(F)cc1C
InChIInChI=1S/C14H18FN3O2S/c1-10-7-11(15)3-4-12(10)13(19)8-21-14-17-16-9-18(14)5-6-20-2/h3-4,7,9,13,19H,5-6,8H2,1-2H3
InChIKeyMNUFXVXCWCQECQ-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol with MolForge

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 111629902
1-(4-fluoro-2-methylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 111629939
1-(4-fluoro-2-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 111629924
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111629922
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 47003904
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51287047
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-ethylsulfanyl-4-(3-methoxypropyl)-1,2,4-triazole
CID 78759618
3-[1-(3,4-difluorophenyl)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 60558219
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
4-(2-methoxyethyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
CID 47095203

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol (CID 111629906) is 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol is COCCn1cnnc1SCC(O)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol?
The InChIKey is MNUFXVXCWCQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-10-7-11(15)3-4-12(10)13(19)8-21-14-17-16-9-18(14)5-6-20-2/h3-4,7,9,13,19H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol has a molecular weight of 311.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol is sourced from PubChem (CID 111629906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).