2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol

C24H25N3O — CID 143668280

IUPAC2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H25N3O/c1-16(2)17-14-19(24(3,4)18-10-6-5-7-11-18)23(28)22(15-17)27-25-20-12-8-9-13-21(20)26-27/h5-16,28H,1-4H3
InChIKeyNSBKTIHQGHOKCM-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.58
Rot. Bonds4

About 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol

2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol (PubChem CID 143668280) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
PubChem CID143668280
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H25N3O/c1-16(2)17-14-19(24(3,4)18-10-6-5-7-11-18)23(28)22(15-17)27-25-20-12-8-9-13-21(20)26-27/h5-16,28H,1-4H3
InChIKeyNSBKTIHQGHOKCM-UHFFFAOYSA-N
XLogP5.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-2-yl)-4-pentyl-6-(2-phenylpropan-2-yl)phenol
CID 70822245
4-tert-butyl-2-(5-fluorobenzotriazol-2-yl)-6-(2-phenylpropan-2-yl)phenol
CID 21258670
2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
CID 19971315
benzyl 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]nonanoate
CID 129106292
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204967
1-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]-4,4-dimethylhexan-3-one
CID 142257079
2-[2-hydroxy-3-(2-phenylpropan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzo[f]benzotriazole-5,8-dione
CID 162700819
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
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-bis(3-phenylpentan-3-yl)phenol
CID 18515457
2-methanimidoyl-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 171500785

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol (CID 143668280) is 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol is CC(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
The InChIKey is NSBKTIHQGHOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16(2)17-14-19(24(3,4)18-10-6-5-7-11-18)23(28)22(15-17)27-25-20-12-8-9-13-21(20)26-27/h5-16,28H,1-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol?
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol has a molecular weight of 371.48 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol is sourced from PubChem (CID 143668280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).