2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol

C20H25N3O — CID 19419984

IUPAC2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
SMILESCCC(C)c1cc(C(C)CC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H25N3O/c1-5-13(3)15-11-16(14(4)6-2)20(24)19(12-15)23-21-17-9-7-8-10-18(17)22-23/h7-14,24H,5-6H2,1-4H3
InChIKeyZSTGYXSSYULQHU-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.15
Rot. Bonds5

About 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol

2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol (PubChem CID 19419984) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
PubChem CID19419984
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
SMILESCCC(C)c1cc(C(C)CC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H25N3O/c1-5-13(3)15-11-16(14(4)6-2)20(24)19(12-15)23-21-17-9-7-8-10-18(17)22-23/h7-14,24H,5-6H2,1-4H3
InChIKeyZSTGYXSSYULQHU-UHFFFAOYSA-N
XLogP5.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol (CID 19419984) is 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol is CCC(C)c1cc(C(C)CC)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol?
The InChIKey is ZSTGYXSSYULQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-5-13(3)15-11-16(14(4)6-2)20(24)19(12-15)23-21-17-9-7-8-10-18(17)22-23/h7-14,24H,5-6H2,1-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol?
2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol has a molecular weight of 323.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol is sourced from PubChem (CID 19419984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).