4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C14H10F3N3O — CID 18672833

IUPAC4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C14H10F3N3O/c1-8-2-5-13(21)12(6-8)20-18-10-4-3-9(14(15,16)17)7-11(10)19-20/h2-7,21H,1H3
InChIKeyZURHEBBSRIVYJV-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.45
Rot. Bonds1

About 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 18672833) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID18672833
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C14H10F3N3O/c1-8-2-5-13(21)12(6-8)20-18-10-4-3-9(14(15,16)17)7-11(10)19-20/h2-7,21H,1H3
InChIKeyZURHEBBSRIVYJV-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 18672833) is 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is Cc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is ZURHEBBSRIVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-2-5-13(21)12(6-8)20-18-10-4-3-9(14(15,16)17)7-11(10)19-20/h2-7,21H,1H3.
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]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 4-methyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 18672833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).