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

C14H10F3N3O — CID 18672818

IUPAC2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESCc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1
InChIInChI=1S/C14H10F3N3O/c1-8-2-4-10-11(6-8)19-20(18-10)12-5-3-9(7-13(12)21)14(15,16)17/h2-7,21H,1H3
InChIKeyBUBYLWLZJPAGCL-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.45
Rot. Bonds1

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

2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 18672818) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol
PubChem CID18672818
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol
SMILESCc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1
InChIInChI=1S/C14H10F3N3O/c1-8-2-4-10-11(6-8)19-20(18-10)12-5-3-9(7-13(12)21)14(15,16)17/h2-7,21H,1H3
InChIKeyBUBYLWLZJPAGCL-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
UV-328
CID 33263
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-[5-(trifluoromethyl)-2H-benzotriazol-2-yl]-
CID 9914271
2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
CID 735573
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594
6-methyl-2H-benzotriazol-4-ol
CID 136421217

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol (CID 18672818) is 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol is Cc1ccc2nn(-c3ccc(C(F)(F)F)cc3O)nc2c1.
What is the InChIKey of 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is BUBYLWLZJPAGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-2-4-10-11(6-8)19-20(18-10)12-5-3-9(7-13(12)21)14(15,16)17/h2-7,21H,1H3.
What are the key properties of 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol?
2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 293.25 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 18672818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).