11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine

C23H19NO2 — CID 59572451

IUPAC11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3oc4ccccc4c32)c(C)c1
InChIInChI=1S/C23H19NO2/c1-14-12-15(2)21(16(3)13-14)24-18-9-5-7-11-20(18)26-23-22(24)17-8-4-6-10-19(17)25-23/h4-13H,1-3H3
InChIKeyARJBMWTYQCKNKH-UHFFFAOYSA-N
MW341.41 g/mol
LogP6.93
Rot. Bonds1

About 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine

11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine (PubChem CID 59572451) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine
PubChem CID59572451
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3oc4ccccc4c32)c(C)c1
InChIInChI=1S/C23H19NO2/c1-14-12-15(2)21(16(3)13-14)24-18-9-5-7-11-20(18)26-23-22(24)17-8-4-6-10-19(17)25-23/h4-13H,1-3H3
InChIKeyARJBMWTYQCKNKH-UHFFFAOYSA-N
XLogP6.93
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl(1)benzofuro(3,2-B)quinolin-11(5H)-one
CID 10753131
4-Methylphenyl 2-(2-methyl-9-oxo-9,10-dihydroacridin-10-yl)acetate
CID 22330292
16-(2,4,6-Trimethylphenyl)-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
CID 59572341
11-(4-Tert-butyl-2,6-dimethylphenyl)-7-methyl-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572360
11-(4-Tert-butyl-2,6-dimethylphenyl)-8-methyl-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572431
4-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[2,3-b][1,4]benzoxazine
CID 59572438
16-(4-Tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
CID 59572446
4-(4-Tert-butyl-2,6-dimethylphenyl)-2-methylfuro[2,3-b][1,4]benzoxazine
CID 59572507
4-(2,4,6-Trimethylphenyl)furo[2,3-b][1,4]benzoxazine
CID 59572648
11-(4-Tert-butyl-2,6-dimethylphenyl)-3,8-dimethyl-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572694
11-(4-Tert-butyl-2,6-dimethylphenyl)-3,9-dimethyl-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572716
8-(4-Tert-butyl-2,6-dimethylphenyl)-5-methyl-2,4,12-trioxa-8-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraene
CID 59572821

Frequently Asked Questions

What is the IUPAC name of 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine?
The IUPAC name of 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine (CID 59572451) is 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine?
The canonical SMILES for 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3oc4ccccc4c32)c(C)c1.
What is the InChIKey of 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine?
The InChIKey is ARJBMWTYQCKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-14-12-15(2)21(16(3)13-14)24-18-9-5-7-11-20(18)26-23-22(24)17-8-4-6-10-19(17)25-23/h4-13H,1-3H3.
What are the key properties of 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine?
11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine has a molecular weight of 341.41 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).