2-(benzotriazol-2-yl)-6-decyl-4-propylphenol

C25H35N3O — CID 164590219

IUPAC2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
SMILESCCCCCCCCCCc1cc(CCC)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C25H35N3O/c1-3-5-6-7-8-9-10-11-15-21-18-20(14-4-2)19-24(25(21)29)28-26-22-16-12-13-17-23(22)27-28/h12-13,16-19,29H,3-11,14-15H2,1-2H3
InChIKeyVKNBIROTFKWROM-UHFFFAOYSA-N
MW393.58 g/mol
LogP6.76
Rot. Bonds12

About 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol

2-(benzotriazol-2-yl)-6-decyl-4-propylphenol (PubChem CID 164590219) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
PubChem CID164590219
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
SMILESCCCCCCCCCCc1cc(CCC)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C25H35N3O/c1-3-5-6-7-8-9-10-11-15-21-18-20(14-4-2)19-24(25(21)29)28-26-22-16-12-13-17-23(22)27-28/h12-13,16-19,29H,3-11,14-15H2,1-2H3
InChIKeyVKNBIROTFKWROM-UHFFFAOYSA-N
XLogP6.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 56.76
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)-4,6-dibutylphenol
CID 12837390
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-(benzotriazol-2-yl)-6-dodecylphenol
CID 13008254
2-(5-dodecylbenzotriazol-2-yl)-4-methyl-6-octylphenol
CID 19872110
2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
CID 19971315
[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
CID 66970167
2-(benzotriazol-2-yl)-4-pentyl-6-(2-phenylpropan-2-yl)phenol
CID 70822245
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(3-hydroxypropyl)phenyl]methyl]-4-(3-hydroxypropyl)phenol
CID 66593002
2,4,6-triheptylphenol
CID 139692303
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
CID 146444364

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol (CID 164590219) is 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol is CCCCCCCCCCc1cc(CCC)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol?
The InChIKey is VKNBIROTFKWROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-3-5-6-7-8-9-10-11-15-21-18-20(14-4-2)19-24(25(21)29)28-26-22-16-12-13-17-23(22)27-28/h12-13,16-19,29H,3-11,14-15H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-decyl-4-propylphenol?
2-(benzotriazol-2-yl)-6-decyl-4-propylphenol has a molecular weight of 393.58 g/mol, XLogP of 6.76, 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-decyl-4-propylphenol is sourced from PubChem (CID 164590219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).