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

C20H19NO2 — CID 59572827

IUPAC2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cc(C)oc32)c(C)c1
InChIInChI=1S/C20H19NO2/c1-12-9-13(2)19(14(3)10-12)21-16-7-5-6-8-17(16)23-18-11-15(4)22-20(18)21/h5-11H,1-4H3
InChIKeyOQBXAQZQDHVKPF-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.09
Rot. Bonds1

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

2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572827) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572827
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cc(C)oc32)c(C)c1
InChIInChI=1S/C20H19NO2/c1-12-9-13(2)19(14(3)10-12)21-16-7-5-6-8-17(16)23-18-11-15(4)22-20(18)21/h5-11H,1-4H3
InChIKeyOQBXAQZQDHVKPF-UHFFFAOYSA-N
XLogP6.09
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoselenazine
CID 59572210
2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572243
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572260
9-(4-Tert-butyl-2,6-dimethylphenyl)-3,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572292
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][1]benzazepine
CID 59572308
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
9-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[3,4-b][1,4]benzoxazine
CID 59572358
9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine (CID 59572827) is 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3cc(C)oc32)c(C)c1.
What is the InChIKey of 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is OQBXAQZQDHVKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12-9-13(2)19(14(3)10-12)21-16-7-5-6-8-17(16)23-18-11-15(4)22-20(18)21/h5-11H,1-4H3.
What are the key properties of 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine?
2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 305.38 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).