[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol

C12H12F3N3O2 — CID 107043845

IUPAC[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(COc2ccc(CO)cc2C(F)(F)F)nn1
InChIInChI=1S/C12H12F3N3O2/c1-18-5-9(16-17-18)7-20-11-3-2-8(6-19)4-10(11)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyNRZDYUSSKXVHBB-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.91
Rot. Bonds4

About [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol

[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol (PubChem CID 107043845) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
PubChem CID107043845
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(COc2ccc(CO)cc2C(F)(F)F)nn1
InChIInChI=1S/C12H12F3N3O2/c1-18-5-9(16-17-18)7-20-11-3-2-8(6-19)4-10(11)12(13,14)15/h2-5,19H,6-7H2,1H3
InChIKeyNRZDYUSSKXVHBB-UHFFFAOYSA-N
XLogP1.91
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320802
3-fluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenecarbothioamide
CID 107665921
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
CID 55204148
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
3-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 107051631
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol (CID 107043845) is [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol is Cn1cc(COc2ccc(CO)cc2C(F)(F)F)nn1.
What is the InChIKey of [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is NRZDYUSSKXVHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-18-5-9(16-17-18)7-20-11-3-2-8(6-19)4-10(11)12(13,14)15/h2-5,19H,6-7H2,1H3.
What are the key properties of [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol?
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 287.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107043845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).