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

C16H14F3N3O2 — CID 123558887

IUPAC2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCCc1cc(OC)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O
InChIInChI=1S/C16H14F3N3O2/c1-3-9-6-11(24-2)8-14(15(9)23)22-20-12-5-4-10(16(17,18)19)7-13(12)21-22/h4-8,23H,3H2,1-2H3
InChIKeyKHBVFKBCBUYFEM-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.72
Rot. Bonds3

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

2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 123558887) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID123558887
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCCc1cc(OC)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O
InChIInChI=1S/C16H14F3N3O2/c1-3-9-6-11(24-2)8-14(15(9)23)22-20-12-5-4-10(16(17,18)19)7-13(12)21-22/h4-8,23H,3H2,1-2H3
InChIKeyKHBVFKBCBUYFEM-UHFFFAOYSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2'-Hydroxy-5'-methylphenyl)-5-methoxybenztriazole
CID 15538117
2-(5-Methylbenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672818
2-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)benzotriazol-2-yl]-5-(trifluoromethyl)phenol
CID 18672822
2-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)benzotriazol-2-yl]-5-methylphenol
CID 18672832
2-(5-Methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844
4-(3-Hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 22034005
4-(2-Hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 22034034
4'-Methoxy-5-(1,1,3,3-tetramethyl-butyl)-3-(5trifluromethyl-benzotriazol-2-yl)-biphenyl-2-ol
CID 22664352
5-Trifluoromethyl-2-[2-hydroxy-3-(4-methoxy-alpha-cumyl)-5-tert-butylphenyl]-2H-benzotriazole
CID 22664370
2-(3-Methoxyphenyl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 22664378
2-(2-Methoxyphenyl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 22664386
5-(2-Sulfanylethoxy)-2-[5-(trifluoromethyl)benzotriazol-2-yl]naphthalen-1-ol
CID 57874192

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 123558887) is 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is CCc1cc(OC)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O.
What is the InChIKey of 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is KHBVFKBCBUYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-3-9-6-11(24-2)8-14(15(9)23)22-20-12-5-4-10(16(17,18)19)7-13(12)21-22/h4-8,23H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 337.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 123558887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).