2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C19H20F3N3O3 — CID 87970969

IUPAC2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1c(OCCO)ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)16-15(28-9-8-26)7-6-14(17(16)27)25-23-12-5-4-11(19(20,21)22)10-13(12)24-25/h4-7,10,26-27H,8-9H2,1-3H3
InChIKeyAYUCMOLWLQYVTG-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.81
Rot. Bonds4

About 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 87970969) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID87970969
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1c(OCCO)ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)16-15(28-9-8-26)7-6-14(17(16)27)25-23-12-5-4-11(19(20,21)22)10-13(12)24-25/h4-7,10,26-27H,8-9H2,1-3H3
InChIKeyAYUCMOLWLQYVTG-UHFFFAOYSA-N
XLogP3.81
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 87970969) is 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is CC(C)(C)c1c(OCCO)ccc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O.
What is the InChIKey of 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is AYUCMOLWLQYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(2,3)16-15(28-9-8-26)7-6-14(17(16)27)25-23-12-5-4-11(19(20,21)22)10-13(12)24-25/h4-7,10,26-27H,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 395.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 87970969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).