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

C21H21NO2 — CID 59572813

IUPAC2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3Oc3cc(C)oc32)c(C)c1
InChIInChI=1S/C21H21NO2/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3
InChIKeyZYDJHNLEZCEWTD-UHFFFAOYSA-N
MW319.40 g/mol
LogP6.40
Rot. Bonds1

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

2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572813) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572813
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccc(C)cc3Oc3cc(C)oc32)c(C)c1
InChIInChI=1S/C21H21NO2/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3
InChIKeyZYDJHNLEZCEWTD-UHFFFAOYSA-N
XLogP6.40
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine (CID 59572813) is 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccc(C)cc3Oc3cc(C)oc32)c(C)c1.
What is the InChIKey of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is ZYDJHNLEZCEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-12-6-7-17-18(10-12)24-19-11-16(5)23-21(19)22(17)20-14(3)8-13(2)9-15(20)4/h6-11H,1-5H3.
What are the key properties of 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 319.40 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).