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

C22H17NO2 — CID 59572495

IUPAC6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCc1ccc(N2c3ccccc3Oc3c2oc2ccccc32)c(C)c1
InChIInChI=1S/C22H17NO2/c1-14-11-12-17(15(2)13-14)23-18-8-4-6-10-20(18)24-21-16-7-3-5-9-19(16)25-22(21)23/h3-13H,1-2H3
InChIKeyLUIOKSKHFUAIGM-UHFFFAOYSA-N
MW327.38 g/mol
LogP6.63
Rot. Bonds1

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

6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine (PubChem CID 59572495) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
PubChem CID59572495
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCc1ccc(N2c3ccccc3Oc3c2oc2ccccc32)c(C)c1
InChIInChI=1S/C22H17NO2/c1-14-11-12-17(15(2)13-14)23-18-8-4-6-10-20(18)24-21-16-7-3-5-9-19(16)25-22(21)23/h3-13H,1-2H3
InChIKeyLUIOKSKHFUAIGM-UHFFFAOYSA-N
XLogP6.63
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 56.63
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
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
6-(2,4-dimethylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572352
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
2,9-Dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572379
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
CID 59572382
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572396

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The IUPAC name of 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine (CID 59572495) is 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The canonical SMILES for 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine is Cc1ccc(N2c3ccccc3Oc3c2oc2ccccc32)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
The InChIKey is LUIOKSKHFUAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-11-12-17(15(2)13-14)23-18-8-4-6-10-20(18)24-21-16-7-3-5-9-19(16)25-22(21)23/h3-13H,1-2H3.
What are the key properties of 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine?
6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine has a molecular weight of 327.38 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).