2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol

C30H36ClN3O2 — CID 151722818

IUPAC2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccccc1-c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H36ClN3O2/c1-5-6-7-8-9-12-17-36-28-14-11-10-13-23(28)21-18-24(30(2,3)4)29(35)27(19-21)34-32-25-16-15-22(31)20-26(25)33-34/h10-11,13-16,18-20,35H,5-9,12,17H2,1-4H3
InChIKeyRIYCAHODXXUEMO-UHFFFAOYSA-N
MW506.09 g/mol
LogP8.48
Rot. Bonds10

About 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol

2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol (PubChem CID 151722818) has the molecular formula C30H36ClN3O2 and a molecular weight of 506.09 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol
PubChem CID151722818
Molecular FormulaC30H36ClN3O2
Molecular Weight506.09 g/mol
Exact Mass505.25
IUPAC Name2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccccc1-c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H36ClN3O2/c1-5-6-7-8-9-12-17-36-28-14-11-10-13-23(28)21-18-24(30(2,3)4)29(35)27(19-21)34-32-25-16-15-22(31)20-26(25)33-34/h10-11,13-16,18-20,35H,5-9,12,17H2,1-4H3
InChIKeyRIYCAHODXXUEMO-UHFFFAOYSA-N
XLogP8.48
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.09
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octyl 3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxybenzoate
CID 175154426
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-5-octoxyphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 172773941
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
8-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 158755218
octan-2-yl 2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetate
CID 22610335
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]octyl prop-2-enoate
CID 175423116
4-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]butan-2-one;3-ethylheptane;nonane
CID 157381776
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,3,3-trimethylbutan-2-yl)phenyl]methyl]-4-(2,3,3-trimethylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol;2-(benzotriazol-2-yl)-4-methylphenol;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 159135230
2-ethylhexyl 2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetate
CID 134227279
[2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenyl] octanoate
CID 21290131

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol?
The IUPAC name of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol (CID 151722818) is 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol?
The canonical SMILES for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol is CCCCCCCCOc1ccccc1-c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol?
The InChIKey is RIYCAHODXXUEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O2/c1-5-6-7-8-9-12-17-36-28-14-11-10-13-23(28)21-18-24(30(2,3)4)29(35)27(19-21)34-32-25-16-15-22(31)20-26(25)33-34/h10-11,13-16,18-20,35H,5-9,12,17H2,1-4H3.
What are the key properties of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol?
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol has a molecular weight of 506.09 g/mol, XLogP of 8.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-octoxyphenyl)phenol is sourced from PubChem (CID 151722818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).