2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol

C30H37N3O — CID 19971315

IUPAC2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
SMILESCCCCCCCCCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H37N3O/c1-4-5-6-7-8-9-11-16-23-21-25(30(2,3)24-17-12-10-13-18-24)29(34)28(22-23)33-31-26-19-14-15-20-27(26)32-33/h10,12-15,17-22,34H,4-9,11,16H2,1-3H3
InChIKeyZJKBRIDVGTVOGI-UHFFFAOYSA-N
MW455.65 g/mol
LogP7.75
Rot. Bonds11

About 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol

2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol (PubChem CID 19971315) has the molecular formula C30H37N3O and a molecular weight of 455.65 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
PubChem CID19971315
Molecular FormulaC30H37N3O
Molecular Weight455.65 g/mol
Exact Mass455.29
IUPAC Name2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
SMILESCCCCCCCCCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H37N3O/c1-4-5-6-7-8-9-11-16-23-21-25(30(2,3)24-17-12-10-13-18-24)29(34)28(22-23)33-31-26-19-14-15-20-27(26)32-33/h10,12-15,17-22,34H,4-9,11,16H2,1-3H3
InChIKeyZJKBRIDVGTVOGI-UHFFFAOYSA-N
XLogP7.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-2-yl)-4-pentyl-6-(2-phenylpropan-2-yl)phenol
CID 70822245
1-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]-4,4-dimethylhexan-3-one
CID 142257079
2-(benzotriazol-2-yl)-6-dodecyl-4-octylphenol
CID 164590225
2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
CID 164590219
benzyl 2-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]nonanoate
CID 129106292
2-(benzotriazol-2-yl)-4,6-dibutylphenol
CID 12837390
[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
CID 66970167
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 143668280
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
CID 132568547
2,3-bis[2-[3-(benzotriazol-2-yl)-4-hydroxy-5-octylphenyl]ethyl]terephthalic acid
CID 66765632
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate
CID 22664367
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
CID 152674943

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol (CID 19971315) is 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol is CCCCCCCCCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is ZJKBRIDVGTVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O/c1-4-5-6-7-8-9-11-16-23-21-25(30(2,3)24-17-12-10-13-18-24)29(34)28(22-23)33-31-26-19-14-15-20-27(26)32-33/h10,12-15,17-22,34H,4-9,11,16H2,1-3H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol?
2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 455.65 g/mol, XLogP of 7.75, 11 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-nonyl-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 19971315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).