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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Related Compounds

2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
CID 22758321
2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
CID 135235557
2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
CID 19419984
2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
CID 152598863
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-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
1-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropanoyl)phenyl]-2-phenylpropan-1-one
CID 171059809
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
CID 146444364
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
CID 152674943
4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-phenylphenyl]methyl]-2,6-ditert-butylphenol
CID 88764504
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

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).