2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate

C107H138N12O11 — CID 158501454

IUPAC2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
SMILESCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCOCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1.CCCCCCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C40H53N3O4.C27H37N3O3.C20H23N3O3.C20H25N3O/c1-6-7-8-9-10-11-12-13-14-15-22-46-26-32(44)27-47-33-18-21-36(37(45)25-33)40-42-38(34-19-16-28(2)23-30(34)4)41-39(43-40)35-20-17-29(3)24-31(35)5;1-5-6-7-8-9-12-17-33-25(31)16-15-20-18-21(27(2,3)4)26(32)24(19-20)30-28-22-13-10-11-14-23(22)29-30;1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23;1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h16-21,23-25,32,44-45H,6-15,22,26-27H2,1-5H3;10-11,13-14,18-19,32H,5-9,12,15-17H2,1-4H3;5-8,11-12,25H,9-10H2,1-4H3;7-12,24H,1-6H3
InChIKeyHJYDTAVPLRWSNR-UHFFFAOYSA-N
MW1768.35 g/mol
LogP24.00
Rot. Bonds35

About 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate

2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate (PubChem CID 158501454) has the molecular formula C107H138N12O11 and a molecular weight of 1768.35 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
PubChem CID158501454
Molecular FormulaC107H138N12O11
Molecular Weight1768.35 g/mol
Exact Mass1767.06
IUPAC Name2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
SMILESCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCOCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1.CCCCCCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C40H53N3O4.C27H37N3O3.C20H23N3O3.C20H25N3O/c1-6-7-8-9-10-11-12-13-14-15-22-46-26-32(44)27-47-33-18-21-36(37(45)25-33)40-42-38(34-19-16-28(2)23-30(34)4)41-39(43-40)35-20-17-29(3)24-31(35)5;1-5-6-7-8-9-12-17-33-25(31)16-15-20-18-21(27(2,3)4)26(32)24(19-20)30-28-22-13-10-11-14-23(22)29-30;1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23;1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h16-21,23-25,32,44-45H,6-15,22,26-27H2,1-5H3;10-11,13-14,18-19,32H,5-9,12,15-17H2,1-4H3;5-8,11-12,25H,9-10H2,1-4H3;7-12,24H,1-6H3
InChIKeyHJYDTAVPLRWSNR-UHFFFAOYSA-N
XLogP24.00
TPSA303.01 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.35
LogP ≤ 524.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-dodecoxypropan-2-ol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-tridecoxypropan-2-ol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
CID 159269389
5-(3-decoxy-2-hydroxypropoxy)-2-[4-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenol
CID 155733634
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-dodecoxyphenol;5-(3-butoxy-2-hydroxypropoxy)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol;methane
CID 139606045
2-[4-(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol
CID 135843595
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol;5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 136595116
bis(2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-butoxy-2-hydroxypropoxy)phenol);methane
CID 160511620
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenol;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol;2-(benzotriazol-2-yl)-4-tert-butylphenol;2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol;bis(2-(benzotriazol-2-yl)-4-methylphenol);2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol;2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;octyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
CID 157306695
2-[2,6-bis(2,4-dimethylphenyl)pyrimidin-4-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol
CID 137257294
octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroperoxyphenyl]propanoate
CID 151706336
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-(2-hydroxytridecoxy)propoxy]phenol
CID 137148439
octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]propanoate
CID 21026906
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
CID 87404296

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate (CID 158501454) is 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate is CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCOCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1.CCCCCCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate?
The InChIKey is HJYDTAVPLRWSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53N3O4.C27H37N3O3.C20H23N3O3.C20H25N3O/c1-6-7-8-9-10-11-12-13-14-15-22-46-26-32(44)27-47-33-18-21-36(37(45)25-33)40-42-38(34-19-16-28(2)23-30(34)4)41-39(43-40)35-20-17-29(3)24-31(35)5;1-5-6-7-8-9-12-17-33-25(31)16-15-20-18-21(27(2,3)4)26(32)24(19-20)30-28-22-13-10-11-14-23(22)29-30;1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23;1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h16-21,23-25,32,44-45H,6-15,22,26-27H2,1-5H3;10-11,13-14,18-19,32H,5-9,12,15-17H2,1-4H3;5-8,11-12,25H,9-10H2,1-4H3;7-12,24H,1-6H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate?
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate has a molecular weight of 1768.35 g/mol, XLogP of 24.00, 35 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate is sourced from PubChem (CID 158501454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).