4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C27H28F3N3O2 — CID 22664370

IUPAC4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCOc1ccc(C(C)(C)c2cc(C(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)cc1
InChIInChI=1S/C27H28F3N3O2/c1-25(2,3)18-13-20(26(4,5)16-7-10-19(35-6)11-8-16)24(34)23(15-18)33-31-21-12-9-17(27(28,29)30)14-22(21)32-33/h7-15,34H,1-6H3
InChIKeyUDSCPOPTNDZIHT-UHFFFAOYSA-N
MW483.53 g/mol
LogP6.78
Rot. Bonds4

About 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 22664370) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID22664370
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCOc1ccc(C(C)(C)c2cc(C(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)cc1
InChIInChI=1S/C27H28F3N3O2/c1-25(2,3)18-13-20(26(4,5)16-7-10-19(35-6)11-8-16)24(34)23(15-18)33-31-21-12-9-17(27(28,29)30)14-22(21)32-33/h7-15,34H,1-6H3
InChIKeyUDSCPOPTNDZIHT-UHFFFAOYSA-N
XLogP6.78
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Octrizole
CID 62485
Bisoctrizole
CID 3571576
UV-328
CID 33263
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
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 22664370) is 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is COc1ccc(C(C)(C)c2cc(C(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)cc1.
What is the InChIKey of 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is UDSCPOPTNDZIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-25(2,3)18-13-20(26(4,5)16-7-10-19(35-6)11-8-16)24(34)23(15-18)33-31-21-12-9-17(27(28,29)30)14-22(21)32-33/h7-15,34H,1-6H3.
What are the key properties of 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 483.53 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(4-methoxyphenyl)propan-2-yl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 22664370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).