5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

C26H29N3O2 — CID 146627909

IUPAC5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCCc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h7-18H,6H2,1-5H3
InChIKeyBZJYGAFGGRYORR-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.22
Rot. Bonds7

About 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (PubChem CID 146627909) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.

Molecular Properties

Compound Name5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
PubChem CID146627909
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCCc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h7-18H,6H2,1-5H3
InChIKeyBZJYGAFGGRYORR-UHFFFAOYSA-N
XLogP6.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179259
1,6-Bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179628
5-Methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
CID 134179631
1-[2-(3,4-Dimethylphenoxy)ethyl]benzotriazole
CID 2986045
4-(1-Benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
CID 666341
4-(1H-1,2,3-benzotriazol-1-yl)-5-(2-naphthyloxy)phthalonitrile
CID 1519540
Tetrahydrofluoroene 52
CID 118753642
4-(Benzotriazol-1-yl)-5-phenoxybenzene-1,2-dicarbonitrile
CID 902694
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)propan-2-one
CID 132819847
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)butan-2-one
CID 132819854
1-(Benzotriazol-1-yl)-3-[4-(4-fluorophenyl)phenoxy]butan-2-one
CID 132819855
3-(Benzotriazol-1-yl)-1-(4-phenylphenoxy)butan-2-one
CID 134155970

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The IUPAC name of 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (CID 146627909) is 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.
What is the SMILES notation for 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The canonical SMILES for 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is CCc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The InChIKey is BZJYGAFGGRYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h7-18H,6H2,1-5H3.
What are the key properties of 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole has a molecular weight of 415.54 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is sourced from PubChem (CID 146627909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).