2-(benzotriazol-2-yl)-4,6-dibutylphenol

C20H25N3O — CID 12837390

IUPAC2-(benzotriazol-2-yl)-4,6-dibutylphenol
SMILESCCCCc1cc(CCCC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H25N3O/c1-3-5-9-15-13-16(10-6-4-2)20(24)19(14-15)23-21-17-11-7-8-12-18(17)22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3
InChIKeyIJLQBCRKBCAKNJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.81
Rot. Bonds7

About 2-(benzotriazol-2-yl)-4,6-dibutylphenol

2-(benzotriazol-2-yl)-4,6-dibutylphenol (PubChem CID 12837390) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-dibutylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-dibutylphenol
PubChem CID12837390
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(benzotriazol-2-yl)-4,6-dibutylphenol
SMILESCCCCc1cc(CCCC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H25N3O/c1-3-5-9-15-13-16(10-6-4-2)20(24)19(14-15)23-21-17-11-7-8-12-18(17)22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3
InChIKeyIJLQBCRKBCAKNJ-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 2-(benzotriazol-2-yl)-4,6-dibutylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-dibutylphenol (CID 12837390) is 2-(benzotriazol-2-yl)-4,6-dibutylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-dibutylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-dibutylphenol is CCCCc1cc(CCCC)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-dibutylphenol?
The InChIKey is IJLQBCRKBCAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-5-9-15-13-16(10-6-4-2)20(24)19(14-15)23-21-17-11-7-8-12-18(17)22-23/h7-8,11-14,24H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-dibutylphenol?
2-(benzotriazol-2-yl)-4,6-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 2-(benzotriazol-2-yl)-4,6-dibutylphenol is sourced from PubChem (CID 12837390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).