2-(benzotriazol-2-yl)-6-dodecylphenol

C24H33N3O — CID 13008254

IUPAC2-(benzotriazol-2-yl)-6-dodecylphenol
SMILESCCCCCCCCCCCCc1cccc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(24(20)28)27-25-21-17-12-13-18-22(21)26-27/h12-14,16-19,28H,2-11,15H2,1H3
InChIKeyJXXYUPNKKIVDRE-UHFFFAOYSA-N
MW379.55 g/mol
LogP6.59
Rot. Bonds12

About 2-(benzotriazol-2-yl)-6-dodecylphenol

2-(benzotriazol-2-yl)-6-dodecylphenol (PubChem CID 13008254) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-dodecylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-dodecylphenol
PubChem CID13008254
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2-(benzotriazol-2-yl)-6-dodecylphenol
SMILESCCCCCCCCCCCCc1cccc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(24(20)28)27-25-21-17-12-13-18-22(21)26-27/h12-14,16-19,28H,2-11,15H2,1H3
InChIKeyJXXYUPNKKIVDRE-UHFFFAOYSA-N
XLogP6.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.59
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)-6-dodecyl-4-octylphenol
CID 164590225
2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
CID 164590219
2-(benzotriazol-2-yl)-4,6-dibutylphenol
CID 12837390
2-(5-dodecylbenzotriazol-2-yl)-4-methyl-6-octylphenol
CID 19872110
2,3-bis[2-[3-(benzotriazol-2-yl)-4-hydroxy-5-octylphenyl]ethyl]terephthalic acid
CID 66765632
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
CID 132568547
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
N-[[3-(benzotriazol-2-yl)-2-hydroxyphenyl]methyl]-2-methylprop-2-enamide
CID 66661074
2-methyl-6-undecylphenol
CID 174998801
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2,6-di(nonyl)phenol;4-methylphenol
CID 159290402

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-dodecylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-dodecylphenol (CID 13008254) is 2-(benzotriazol-2-yl)-6-dodecylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-dodecylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-dodecylphenol is CCCCCCCCCCCCc1cccc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-dodecylphenol?
The InChIKey is JXXYUPNKKIVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(24(20)28)27-25-21-17-12-13-18-22(21)26-27/h12-14,16-19,28H,2-11,15H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-dodecylphenol?
2-(benzotriazol-2-yl)-6-dodecylphenol has a molecular weight of 379.55 g/mol, XLogP of 6.59, 12 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-dodecylphenol is sourced from PubChem (CID 13008254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).