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

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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).