7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran

C24H22O2 — CID 134929874

IUPAC7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran
SMILESCC(C)(C)c1ccc(Oc2c(-c3ccccc3)ccc3ccoc23)cc1
InChIInChI=1S/C24H22O2/c1-24(2,3)19-10-12-20(13-11-19)26-23-21(17-7-5-4-6-8-17)14-9-18-15-16-25-22(18)23/h4-16H,1-3H3
InChIKeyGHVJZWLXOQTPRM-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.19
Rot. Bonds3

About 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran

7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran (PubChem CID 134929874) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran.

Molecular Properties

Compound Name7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran
PubChem CID134929874
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran
SMILESCC(C)(C)c1ccc(Oc2c(-c3ccccc3)ccc3ccoc23)cc1
InChIInChI=1S/C24H22O2/c1-24(2,3)19-10-12-20(13-11-19)26-23-21(17-7-5-4-6-8-17)14-9-18-15-16-25-22(18)23/h4-16H,1-3H3
InChIKeyGHVJZWLXOQTPRM-UHFFFAOYSA-N
XLogP7.19
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran?
The IUPAC name of 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran (CID 134929874) is 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran.
What is the SMILES notation for 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran?
The canonical SMILES for 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran is CC(C)(C)c1ccc(Oc2c(-c3ccccc3)ccc3ccoc23)cc1.
What is the InChIKey of 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran?
The InChIKey is GHVJZWLXOQTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-24(2,3)19-10-12-20(13-11-19)26-23-21(17-7-5-4-6-8-17)14-9-18-15-16-25-22(18)23/h4-16H,1-3H3.
What are the key properties of 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran?
7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran has a molecular weight of 342.44 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenoxy)-6-phenyl-1-benzofuran is sourced from PubChem (CID 134929874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).