2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol

C22H31N3OSi — CID 148702623

IUPAC2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
SMILESCc1cc(-n2nc3ccccc3n2)c(O)c([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C22H31N3OSi/c1-14(2)27(15(3)4,16(5)6)21-13-17(7)12-20(22(21)26)25-23-18-10-8-9-11-19(18)24-25/h8-16,26H,1-7H3
InChIKeyNVQRXTBRSQYYAS-UHFFFAOYSA-N
MW381.60 g/mol
LogP5.32
Rot. Bonds5

About 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol

2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol (PubChem CID 148702623) has the molecular formula C22H31N3OSi and a molecular weight of 381.60 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
PubChem CID148702623
Molecular FormulaC22H31N3OSi
Molecular Weight381.60 g/mol
Exact Mass381.22
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
SMILESCc1cc(-n2nc3ccccc3n2)c(O)c([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C22H31N3OSi/c1-14(2)27(15(3)4,16(5)6)21-13-17(7)12-20(22(21)26)25-23-18-10-8-9-11-19(18)24-25/h8-16,26H,1-7H3
InChIKeyNVQRXTBRSQYYAS-UHFFFAOYSA-N
XLogP5.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol (CID 148702623) is 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol is Cc1cc(-n2nc3ccccc3n2)c(O)c([Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol?
The InChIKey is NVQRXTBRSQYYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OSi/c1-14(2)27(15(3)4,16(5)6)21-13-17(7)12-20(22(21)26)25-23-18-10-8-9-11-19(18)24-25/h8-16,26H,1-7H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol?
2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol has a molecular weight of 381.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol is sourced from PubChem (CID 148702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).