N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine

C24H23NO2 — CID 135002276

IUPACN-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\OC(Oc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h4-17H,1-3H3/b25-22-
InChIKeyFSTDRYJOVTYOTM-LVWGJNHUSA-N
MW357.45 g/mol
LogP5.54
Rot. Bonds3

About N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine

N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine (PubChem CID 135002276) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine
PubChem CID135002276
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\OC(Oc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h4-17H,1-3H3/b25-22-
InChIKeyFSTDRYJOVTYOTM-LVWGJNHUSA-N
XLogP5.54
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine?
The IUPAC name of N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine (CID 135002276) is N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine.
What is the SMILES notation for N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine?
The canonical SMILES for N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine is CC(C)(C)/N=C1\OC(Oc2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine?
The InChIKey is FSTDRYJOVTYOTM-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H23NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h4-17H,1-3H3/b25-22-.
What are the key properties of N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine?
N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine has a molecular weight of 357.45 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine is sourced from PubChem (CID 135002276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).