2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol

C24H33N3O3Si — CID 119076167

IUPAC2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol
SMILESCOc1ccc2nn(-c3cc(OCCC[SiH2]C=C(C)C)cc(C(C)(C)C)c3O)nc2c1
InChIInChI=1S/C24H33N3O3Si/c1-16(2)15-31-11-7-10-30-18-12-19(24(3,4)5)23(28)22(14-18)27-25-20-9-8-17(29-6)13-21(20)26-27/h8-9,12-15,28H,7,10-11,31H2,1-6H3
InChIKeyDNPYHJOJVAOLLZ-UHFFFAOYSA-N
MW439.63 g/mol
LogP4.71
Rot. Bonds8

About 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol

2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol (PubChem CID 119076167) has the molecular formula C24H33N3O3Si and a molecular weight of 439.63 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol
PubChem CID119076167
Molecular FormulaC24H33N3O3Si
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol
SMILESCOc1ccc2nn(-c3cc(OCCC[SiH2]C=C(C)C)cc(C(C)(C)C)c3O)nc2c1
InChIInChI=1S/C24H33N3O3Si/c1-16(2)15-31-11-7-10-30-18-12-19(24(3,4)5)23(28)22(14-18)27-25-20-9-8-17(29-6)13-21(20)26-27/h8-9,12-15,28H,7,10-11,31H2,1-6H3
InChIKeyDNPYHJOJVAOLLZ-UHFFFAOYSA-N
XLogP4.71
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol
CID 177097226
2-[3-tert-butyl-4-hydroxy-5-(5-methoxybenzotriazol-2-yl)phenyl]ethyl prop-2-enoate
CID 139631334
7-[2-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)benzotriazol-5-yl]oxy-7-hydroxyhept-2-en-4-one
CID 57017416
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(3-hydroxypropoxy)phenol;3-[2-[3-tert-butyl-2-hydroxy-5-(3-hydroxypropoxy)phenyl]benzotriazol-5-yl]sulfanylpropane-1,2-diol
CID 160758036
[2-(3,5-ditert-butyl-2-hydroxyphenyl)benzotriazol-5-yl] carbonochloridate
CID 88753536
2,4-ditert-butyl-6-(5-sulfanylbenzotriazol-2-yl)phenol
CID 137142820
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-[3-tert-butyl-4-hydroxy-5-(5-methylbenzo[e]benzotriazol-2-yl)phenoxy]ethyl 2-methylprop-2-enoate
CID 152591721
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222
2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844
[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate
CID 59317404
2-(5-aminobenzotriazol-2-yl)-4,6-ditert-butylphenol
CID 58704461

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol?
The IUPAC name of 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol (CID 119076167) is 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol.
What is the SMILES notation for 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol?
The canonical SMILES for 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol is COc1ccc2nn(-c3cc(OCCC[SiH2]C=C(C)C)cc(C(C)(C)C)c3O)nc2c1.
What is the InChIKey of 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol?
The InChIKey is DNPYHJOJVAOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3Si/c1-16(2)15-31-11-7-10-30-18-12-19(24(3,4)5)23(28)22(14-18)27-25-20-9-8-17(29-6)13-21(20)26-27/h8-9,12-15,28H,7,10-11,31H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol?
2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol has a molecular weight of 439.63 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol is sourced from PubChem (CID 119076167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).