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

C27H23N3O — CID 67857797

IUPAC2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1cc(Cc2ccccc2)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C27H23N3O/c1-19(22-12-6-3-7-13-22)23-17-21(16-20-10-4-2-5-11-20)18-26(27(23)31)30-28-24-14-8-9-15-25(24)29-30/h2-15,17-19,31H,16H2,1H3
InChIKeyJPLGYXPMBGUXJP-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.87
Rot. Bonds5

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

2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol (PubChem CID 67857797) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
PubChem CID67857797
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1cc(Cc2ccccc2)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C27H23N3O/c1-19(22-12-6-3-7-13-22)23-17-21(16-20-10-4-2-5-11-20)18-26(27(23)31)30-28-24-14-8-9-15-25(24)29-30/h2-15,17-19,31H,16H2,1H3
InChIKeyJPLGYXPMBGUXJP-UHFFFAOYSA-N
XLogP5.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.87
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-benzyl-6-(1-phenylethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol (CID 67857797) is 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol is CC(c1ccccc1)c1cc(Cc2ccccc2)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol?
The InChIKey is JPLGYXPMBGUXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-19(22-12-6-3-7-13-22)23-17-21(16-20-10-4-2-5-11-20)18-26(27(23)31)30-28-24-14-8-9-15-25(24)29-30/h2-15,17-19,31H,16H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol?
2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol has a molecular weight of 405.50 g/mol, XLogP of 5.87, 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-benzyl-6-(1-phenylethyl)phenol is sourced from PubChem (CID 67857797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).