6-(benzotriazol-1-yl)-2,3-dibutylphenol

C20H25N3O — CID 22931522

IUPAC6-(benzotriazol-1-yl)-2,3-dibutylphenol
SMILESCCCCc1ccc(-n2nnc3ccccc32)c(O)c1CCCC
InChIInChI=1S/C20H25N3O/c1-3-5-9-15-13-14-19(20(24)16(15)10-6-4-2)23-18-12-8-7-11-17(18)21-22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3
InChIKeyDJIQFOICLAILCH-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.81
Rot. Bonds7

About 6-(benzotriazol-1-yl)-2,3-dibutylphenol

6-(benzotriazol-1-yl)-2,3-dibutylphenol (PubChem CID 22931522) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-2,3-dibutylphenol.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-2,3-dibutylphenol
PubChem CID22931522
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-(benzotriazol-1-yl)-2,3-dibutylphenol
SMILESCCCCc1ccc(-n2nnc3ccccc32)c(O)c1CCCC
InChIInChI=1S/C20H25N3O/c1-3-5-9-15-13-14-19(20(24)16(15)10-6-4-2)23-18-12-8-7-11-17(18)21-22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3
InChIKeyDJIQFOICLAILCH-UHFFFAOYSA-N
XLogP4.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(benzotriazol-1-yl)-2,3-dibutylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
4-(benzotriazol-1-yl)-5,6-dimethylbenzene-1,2,3-triol
CID 167223019
1,2,3,4-tetrabutylbenzene
CID 11220391
6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
CID 167157133
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
2-(benzotriazol-2-yl)-4,6-dibutylphenol
CID 12837390
2-(benzotriazol-1-yl)-6-nitrophenol
CID 67584054

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-2,3-dibutylphenol?
The IUPAC name of 6-(benzotriazol-1-yl)-2,3-dibutylphenol (CID 22931522) is 6-(benzotriazol-1-yl)-2,3-dibutylphenol.
What is the SMILES notation for 6-(benzotriazol-1-yl)-2,3-dibutylphenol?
The canonical SMILES for 6-(benzotriazol-1-yl)-2,3-dibutylphenol is CCCCc1ccc(-n2nnc3ccccc32)c(O)c1CCCC.
What is the InChIKey of 6-(benzotriazol-1-yl)-2,3-dibutylphenol?
The InChIKey is DJIQFOICLAILCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-5-9-15-13-14-19(20(24)16(15)10-6-4-2)23-18-12-8-7-11-17(18)21-22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3.
What are the key properties of 6-(benzotriazol-1-yl)-2,3-dibutylphenol?
6-(benzotriazol-1-yl)-2,3-dibutylphenol has a molecular weight of 323.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-2,3-dibutylphenol is sourced from PubChem (CID 22931522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).