2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine

C25H23NO2 — CID 59572379

IUPAC2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3Oc3c2oc2ccc(C)cc32)c(C)c1
InChIInChI=1S/C25H23NO2/c1-14-7-9-21-19(12-14)24-25(28-21)26(20-8-6-15(2)13-22(20)27-24)23-17(4)10-16(3)11-18(23)5/h6-13H,1-5H3
InChIKeyYLCFBBOUHKVLFM-UHFFFAOYSA-N
MW369.46 g/mol
LogP7.55
Rot. Bonds1

About 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine

2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine (PubChem CID 59572379) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
PubChem CID59572379
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3Oc3c2oc2ccc(C)cc32)c(C)c1
InChIInChI=1S/C25H23NO2/c1-14-7-9-21-19(12-14)24-25(28-21)26(20-8-6-15(2)13-22(20)27-24)23-17(4)10-16(3)11-18(23)5/h6-13H,1-5H3
InChIKeyYLCFBBOUHKVLFM-UHFFFAOYSA-N
XLogP7.55
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
CID 59572230
5-(4-Tert-butyl-2,6-dimethylphenyl)-2,9-dimethyl-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59572265
2-(3,4-dihydro-2H-chromen-8-yl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59572275
2,9-dimethyl-6-(2,4,6-trimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572312
6-(2-Methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572372
9-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572375
2-methyl-10-(2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572376
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572396
9-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-b][1,4]benzoxazine
CID 59572399
2-Methyl-6-(2-methylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572400
2,6-Dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572422
6-(4-tert-butyl-2,6-dimethylphenyl)-2-methyl-11H-[1]benzofuro[2,3-b]quinoline
CID 59572440

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The IUPAC name of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine (CID 59572379) is 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The canonical SMILES for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccc(C)cc3Oc3c2oc2ccc(C)cc32)c(C)c1.
What is the InChIKey of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The InChIKey is YLCFBBOUHKVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-14-7-9-21-19(12-14)24-25(28-21)26(20-8-6-15(2)13-22(20)27-24)23-17(4)10-16(3)11-18(23)5/h6-13H,1-5H3.
What are the key properties of 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine has a molecular weight of 369.46 g/mol, XLogP of 7.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).