2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol

C24H25N3O — CID 22758321

IUPAC2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
SMILESCCC(C)c1cc(C(C)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H25N3O/c1-4-16(2)19-14-20(17(3)18-10-6-5-7-11-18)24(28)23(15-19)27-25-21-12-8-9-13-22(21)26-27/h5-17,28H,4H2,1-3H3
InChIKeyLSYRFIDUWCLHQB-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.79
Rot. Bonds5

About 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol

2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol (PubChem CID 22758321) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
PubChem CID22758321
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
SMILESCCC(C)c1cc(C(C)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H25N3O/c1-4-16(2)19-14-20(17(3)18-10-6-5-7-11-18)24(28)23(15-19)27-25-21-12-8-9-13-22(21)26-27/h5-17,28H,4H2,1-3H3
InChIKeyLSYRFIDUWCLHQB-UHFFFAOYSA-N
XLogP5.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.79
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-butan-2-yl-6-(1-phenylethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol (CID 22758321) is 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol is CCC(C)c1cc(C(C)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol?
The InChIKey is LSYRFIDUWCLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-4-16(2)19-14-20(17(3)18-10-6-5-7-11-18)24(28)23(15-19)27-25-21-12-8-9-13-22(21)26-27/h5-17,28H,4H2,1-3H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol?
2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol has a molecular weight of 371.48 g/mol, XLogP of 5.79, 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-butan-2-yl-6-(1-phenylethyl)phenol is sourced from PubChem (CID 22758321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).