2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol

C23H24N4O2 — CID 164776488

IUPAC2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Nc4ccc(O)cc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H24N4O2/c1-14-11-18(23(2,3)4)22(29)21(12-14)27-25-19-10-7-16(13-20(19)26-27)24-15-5-8-17(28)9-6-15/h5-13,24,28-29H,1-4H3
InChIKeyXGPHVVVQJYKXSM-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.18
Rot. Bonds3

About 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol

2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol (PubChem CID 164776488) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol
PubChem CID164776488
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Nc4ccc(O)cc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H24N4O2/c1-14-11-18(23(2,3)4)22(29)21(12-14)27-25-19-10-7-16(13-20(19)26-27)24-15-5-8-17(28)9-6-15/h5-13,24,28-29H,1-4H3
InChIKeyXGPHVVVQJYKXSM-UHFFFAOYSA-N
XLogP5.18
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol (CID 164776488) is 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol is Cc1cc(-n2nc3ccc(Nc4ccc(O)cc4)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol?
The InChIKey is XGPHVVVQJYKXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-11-18(23(2,3)4)22(29)21(12-14)27-25-19-10-7-16(13-20(19)26-27)24-15-5-8-17(28)9-6-15/h5-13,24,28-29H,1-4H3.
What are the key properties of 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol?
2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol has a molecular weight of 388.47 g/mol, XLogP of 5.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol is sourced from PubChem (CID 164776488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).