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

C19H17NO2 — CID 59572366

IUPAC9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cocc32)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-8-13(2)19(14(3)9-12)20-15-6-4-5-7-17(15)22-18-11-21-10-16(18)20/h4-11H,1-3H3
InChIKeyGAROSNFYEPDBRR-UHFFFAOYSA-N
MW291.35 g/mol
LogP5.78
Rot. Bonds1

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

9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine (PubChem CID 59572366) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine
PubChem CID59572366
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3cocc32)c(C)c1
InChIInChI=1S/C19H17NO2/c1-12-8-13(2)19(14(3)9-12)20-15-6-4-5-7-17(15)22-18-11-21-10-16(18)20/h4-11H,1-3H3
InChIKeyGAROSNFYEPDBRR-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

9-(4-Tert-butyl-2,6-dimethylphenyl)-3,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572292
9-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[3,4-b][1,4]benzoxazine
CID 59572358
9-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572375
4-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[2,3-b][1,4]benzoxazine
CID 59572438
10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572606
4-(2,4,6-Trimethylphenyl)furo[2,3-b][1,4]benzoxazine
CID 59572648
9-(2-Methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine
CID 59572699
9-(2,6-Dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572701
9-(4-Tert-butyl-2,6-dimethylphenyl)-1,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572750
2,6-Dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572813
2-Methyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572827
10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572830

Frequently Asked Questions

What is the IUPAC name of 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine?
The IUPAC name of 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine (CID 59572366) is 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine?
The canonical SMILES for 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3cocc32)c(C)c1.
What is the InChIKey of 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine?
The InChIKey is GAROSNFYEPDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-8-13(2)19(14(3)9-12)20-15-6-4-5-7-17(15)22-18-11-21-10-16(18)20/h4-11H,1-3H3.
What are the key properties of 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine?
9-(2,4,6-trimethylphenyl)furo[3,4-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 9-(2,4,6-trimethylphenyl)furo[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 59572366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).