2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C15H12F3N3O3 — CID 59317403

IUPAC2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCOc1cc(CO)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C15H12F3N3O3/c1-24-10-4-8(7-22)14(23)13(6-10)21-19-11-3-2-9(15(16,17)18)5-12(11)20-21/h2-6,22-23H,7H2,1H3
InChIKeyZZDNHHMWBGTKKK-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.65
Rot. Bonds3

About 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 59317403) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID59317403
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCOc1cc(CO)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C15H12F3N3O3/c1-24-10-4-8(7-22)14(23)13(6-10)21-19-11-3-2-9(15(16,17)18)5-12(11)20-21/h2-6,22-23H,7H2,1H3
InChIKeyZZDNHHMWBGTKKK-UHFFFAOYSA-N
XLogP2.65
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 59317403) is 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is COc1cc(CO)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is ZZDNHHMWBGTKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-24-10-4-8(7-22)14(23)13(6-10)21-19-11-3-2-9(15(16,17)18)5-12(11)20-21/h2-6,22-23H,7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 339.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 59317403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).