2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol

C19H22FN3O2 — CID 22034020

IUPAC2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol
SMILESCC(C)(C)c1cc(CCCO)cc(-n2nc3ccc(F)cc3n2)c1O
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)14-9-12(5-4-8-24)10-17(18(14)25)23-21-15-7-6-13(20)11-16(15)22-23/h6-7,9-11,24-25H,4-5,8H2,1-3H3
InChIKeyNTAPWOXBRJBTTQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.49
Rot. Bonds4

About 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol

2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol (PubChem CID 22034020) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol
PubChem CID22034020
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol
SMILESCC(C)(C)c1cc(CCCO)cc(-n2nc3ccc(F)cc3n2)c1O
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)14-9-12(5-4-8-24)10-17(18(14)25)23-21-15-7-6-13(20)11-16(15)22-23/h6-7,9-11,24-25H,4-5,8H2,1-3H3
InChIKeyNTAPWOXBRJBTTQ-UHFFFAOYSA-N
XLogP3.49
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Drometrizole
CID 17113
Octrizole
CID 62485
Bisoctrizole
CID 3571576
UV-328
CID 33263
Tinuvin
CID 62531
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CID 77470
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
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
Drometrizole trisiloxane
CID 9848888
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol?
The IUPAC name of 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol (CID 22034020) is 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol?
The canonical SMILES for 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol is CC(C)(C)c1cc(CCCO)cc(-n2nc3ccc(F)cc3n2)c1O.
What is the InChIKey of 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol?
The InChIKey is NTAPWOXBRJBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2,3)14-9-12(5-4-8-24)10-17(18(14)25)23-21-15-7-6-13(20)11-16(15)22-23/h6-7,9-11,24-25H,4-5,8H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol?
2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol has a molecular weight of 343.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-fluorobenzotriazol-2-yl)-4-(3-hydroxypropyl)phenol is sourced from PubChem (CID 22034020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).