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

C19H17NO2 — CID 59572648

IUPAC4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3occc32)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-17(15)22-19-16(20)8-9-21-19/h4-11H,1-3H3
InChIKeyRGJVJDWLTZSRBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP5.78
Rot. Bonds1

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

4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine (PubChem CID 59572648) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine
PubChem CID59572648
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3occc32)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-17(15)22-19-16(20)8-9-21-19/h4-11H,1-3H3
InChIKeyRGJVJDWLTZSRBM-UHFFFAOYSA-N
XLogP5.78
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
8-(2,4,6-Trimethylphenyl)-2,4,12-trioxa-8-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraene
CID 59572356
9-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[3,4-b][1,4]benzoxazine
CID 59572358
11-(4-Tert-butyl-2,6-dimethylphenyl)-7-methyl-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572360
9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
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
11-(2,4,6-Trimethylphenyl)-[1]benzofuro[2,3-b][1,4]benzoxazine
CID 59572451
4-(4-Tert-butyl-2,6-dimethylphenyl)-2-methylfuro[2,3-b][1,4]benzoxazine
CID 59572507
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine?
The IUPAC name of 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine (CID 59572648) is 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3occc32)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine?
The InChIKey is RGJVJDWLTZSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-17(15)22-19-16(20)8-9-21-19/h4-11H,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine?
4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine has a molecular weight of 291.35 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)furo[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).