[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol

C15H19F2N3O2 — CID 145351433

IUPAC[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol
SMILESCCC(C)Cc1cc(OC(F)F)ccc1-n1cc(CO)nn1
InChIInChI=1S/C15H19F2N3O2/c1-3-10(2)6-11-7-13(22-15(16)17)4-5-14(11)20-8-12(9-21)18-19-20/h4-5,7-8,10,15,21H,3,6,9H2,1-2H3
InChIKeyYSFXQVMPJKTIJQ-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.95
Rot. Bonds7

About [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol

[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol (PubChem CID 145351433) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol
PubChem CID145351433
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol
SMILESCCC(C)Cc1cc(OC(F)F)ccc1-n1cc(CO)nn1
InChIInChI=1S/C15H19F2N3O2/c1-3-10(2)6-11-7-13(22-15(16)17)4-5-14(11)20-8-12(9-21)18-19-20/h4-5,7-8,10,15,21H,3,6,9H2,1-2H3
InChIKeyYSFXQVMPJKTIJQ-UHFFFAOYSA-N
XLogP2.95
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 49803437
1-(2-Methylphenyl)-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]triazole
CID 164626559
4-[4-[(2-Methoxyphenyl)methyl]triazol-1-yl]phenol
CID 52942867
[1-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828287
2-[1-(4-Methoxyphenyl)triazol-4-yl]propan-2-ol
CID 58350883
5-[1-[4-(Trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol
CID 11709803
4-(4-(3,4-dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
CID 52942373
4-[4-[(3-Methoxyphenyl)methyl]triazol-1-yl]phenol
CID 52948438
4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
CID 52948461
4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-1-(4-methoxyphenyl)triazole
CID 53319650
2-[[1-(4-Methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol
CID 118731836
(4-Methoxyphenyl)-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methanol
CID 134146992

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol (CID 145351433) is [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol is CCC(C)Cc1cc(OC(F)F)ccc1-n1cc(CO)nn1.
What is the InChIKey of [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol?
The InChIKey is YSFXQVMPJKTIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-3-10(2)6-11-7-13(22-15(16)17)4-5-14(11)20-8-12(9-21)18-19-20/h4-5,7-8,10,15,21H,3,6,9H2,1-2H3.
What are the key properties of [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol?
[1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol has a molecular weight of 311.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethoxy)-2-(2-methylbutyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 145351433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).