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

C24H25N3O2 — CID 134179628

IUPAC1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4/h5-17H,1-4H3
InChIKeyPHALCESZZYGBKU-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.66
Rot. Bonds6

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

1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (PubChem CID 134179628) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
PubChem CID134179628
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4/h5-17H,1-4H3
InChIKeyPHALCESZZYGBKU-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.66
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)benzimidazole
CID 134179585
1-[2-(3,4-Dimethylphenoxy)ethyl]benzotriazole
CID 2986045
1,6-Bis(4-propan-2-yloxyphenyl)indazole
CID 134179277
4-(Benzotriazol-1-yl)-5-phenoxybenzene-1,2-dicarbonitrile
CID 902694
1-Benzotriazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230537
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)propan-2-one
CID 132819847
1-(Benzotriazol-1-yl)-3-[4-(4-fluorophenyl)phenoxy]propan-2-one
CID 132819848
1-(Benzotriazol-1-yl)-3-[4-(3-fluorophenyl)phenoxy]propan-2-one
CID 132819849
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 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (CID 134179628) is 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is CC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The InChIKey is PHALCESZZYGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4/h5-17H,1-4H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
1,6-bis(4-propan-2-yloxyphenyl)benzotriazole has a molecular weight of 387.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is sourced from PubChem (CID 134179628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).