[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol

C18H16F3N3O2 — CID 170608612

IUPAC[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol
SMILESCc1cccc(C(F)(F)F)c1COc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C18H16F3N3O2/c1-12-3-2-4-17(18(19,20)21)16(12)11-26-15-7-5-14(6-8-15)24-9-13(10-25)22-23-24/h2-9,25H,10-11H2,1H3
InChIKeyOUXBNDSXMWVKLO-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.67
Rot. Bonds5

About [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol

[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol (PubChem CID 170608612) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol
PubChem CID170608612
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol
SMILESCc1cccc(C(F)(F)F)c1COc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C18H16F3N3O2/c1-12-3-2-4-17(18(19,20)21)16(12)11-26-15-7-5-14(6-8-15)24-9-13(10-25)22-23-24/h2-9,25H,10-11H2,1H3
InChIKeyOUXBNDSXMWVKLO-UHFFFAOYSA-N
XLogP3.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol
CID 170609059
5,5-dimethyl-3-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]imidazolidine-2,4-dione
CID 170608537
5-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-1-yl)pyrimidine
CID 170608532
[1-[4-bromo-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 64854550
[1-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidin-5-yl] hydrogen carbonate
CID 118064705
3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 174303112
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol
CID 130302323
[1-(4-propylphenyl)triazol-4-yl]methanol
CID 59667719

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol (CID 170608612) is [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol is Cc1cccc(C(F)(F)F)c1COc1ccc(-n2cc(CO)nn2)cc1.
What is the InChIKey of [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol?
The InChIKey is OUXBNDSXMWVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-12-3-2-4-17(18(19,20)21)16(12)11-26-15-7-5-14(6-8-15)24-9-13(10-25)22-23-24/h2-9,25H,10-11H2,1H3.
What are the key properties of [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol?
[1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol has a molecular weight of 363.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methoxy]phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 170608612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).