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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
CID 22758321
2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol
CID 86076898
sodium;3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxybenzenesulfonic acid;hydride
CID 173057927
2-(benzotriazol-2-yl)-4-butan-2-yl-6-cyclooctylphenol
CID 22758320
2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
CID 135235557
3-(benzotriazol-2-yl)-5-butan-2-yl-N-[3-(diethylamino)propyl]-4-hydroxybenzenesulfonamide
CID 21032512
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
CID 155037879
[2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenyl] 4-nitrobenzoate
CID 139644366
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(1-hydroxyethyl)phenyl]methyl]-4-(1-hydroxyethyl)phenol
CID 18521144
2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
CID 67857797
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
CID 146444364
2-(benzotriazol-2-yl)-4-methyl-6-[(E)-oct-3-en-2-yl]phenol
CID 15486116

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).