2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol

C22H29N3O — CID 86076898

IUPAC2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol
SMILESCCC(C)c1cc(C(C)CC)c(O)c(-n2nc3cc(C)c(C)cc3n2)c1
InChIInChI=1S/C22H29N3O/c1-7-13(3)17-11-18(14(4)8-2)22(26)21(12-17)25-23-19-9-15(5)16(6)10-20(19)24-25/h9-14,26H,7-8H2,1-6H3
InChIKeyUBVWCMCVGAXPAV-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.77
Rot. Bonds5

About 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol

2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol (PubChem CID 86076898) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol
PubChem CID86076898
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol
SMILESCCC(C)c1cc(C(C)CC)c(O)c(-n2nc3cc(C)c(C)cc3n2)c1
InChIInChI=1S/C22H29N3O/c1-7-13(3)17-11-18(14(4)8-2)22(26)21(12-17)25-23-19-9-15(5)16(6)10-20(19)24-25/h9-14,26H,7-8H2,1-6H3
InChIKeyUBVWCMCVGAXPAV-UHFFFAOYSA-N
XLogP5.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
CID 19419984
2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
CID 22758321
sodium;3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxybenzenesulfonic acid;hydride
CID 173057927
2-(benzotriazol-2-yl)-4-butan-2-yl-6-cyclooctylphenol
CID 22758320
2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
CID 135235557
2-(5,6-dimethylbenzotriazol-2-yl)-4,6-dimethylphenol;propan-2-one
CID 90812994
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
CID 155037879
3-(benzotriazol-2-yl)-5-butan-2-yl-N-[3-(diethylamino)propyl]-4-hydroxybenzenesulfonamide
CID 21032512
[2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenyl] 4-nitrobenzoate
CID 139644366
2-butan-2-yl-4-[(3-butan-2-yl-4-hydroxy-5-methylphenyl)trisulfanyl]-6-methylphenol
CID 21499258
6-butan-2-yl-3-(chloromethyl)-2,4-dimethylphenol
CID 139881036
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188

Frequently Asked Questions

What is the IUPAC name of 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol?
The IUPAC name of 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol (CID 86076898) is 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol.
What is the SMILES notation for 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol?
The canonical SMILES for 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol is CCC(C)c1cc(C(C)CC)c(O)c(-n2nc3cc(C)c(C)cc3n2)c1.
What is the InChIKey of 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol?
The InChIKey is UBVWCMCVGAXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-7-13(3)17-11-18(14(4)8-2)22(26)21(12-17)25-23-19-9-15(5)16(6)10-20(19)24-25/h9-14,26H,7-8H2,1-6H3.
What are the key properties of 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol?
2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol has a molecular weight of 351.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(butan-2-yl)-6-(5,6-dimethylbenzotriazol-2-yl)phenol is sourced from PubChem (CID 86076898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).