2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol

C14H10F3N3O2 — CID 18672844

IUPAC2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1
InChIInChI=1S/C14H10F3N3O2/c1-22-9-3-4-10-11(7-9)19-20(18-10)12-5-2-8(6-13(12)21)14(15,16)17/h2-7,21H,1H3
InChIKeyVVLSZFVGWUPORK-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.15
Rot. Bonds2

About 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol

2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 18672844) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
PubChem CID18672844
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1
InChIInChI=1S/C14H10F3N3O2/c1-22-9-3-4-10-11(7-9)19-20(18-10)12-5-2-8(6-13(12)21)14(15,16)17/h2-7,21H,1H3
InChIKeyVVLSZFVGWUPORK-UHFFFAOYSA-N
XLogP3.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol (CID 18672844) is 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol is COc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1.
What is the InChIKey of 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is VVLSZFVGWUPORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-22-9-3-4-10-11(7-9)19-20(18-10)12-5-2-8(6-13(12)21)14(15,16)17/h2-7,21H,1H3.
What are the key properties of 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 309.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 18672844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).