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

C24H19NO2 — CID 59572422

IUPAC2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)oc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2/c1-16-12-13-21-22(14-16)27-23-15-17(2)26-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyHDPYAOQSQBJUOG-UHFFFAOYSA-N
MW353.42 g/mol
LogP7.14
Rot. Bonds2

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

2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572422) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572422
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)oc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2/c1-16-12-13-21-22(14-16)27-23-15-17(2)26-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyHDPYAOQSQBJUOG-UHFFFAOYSA-N
XLogP7.14
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572243
9-(4-Tert-butyl-2,6-dimethylphenyl)-3,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572292
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
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
9-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-b][1,4]benzoxazine
CID 59572399
2-Methyl-6-(2-methylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572400
9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59572469
2,9-Dimethyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572493

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine (CID 59572422) is 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine is Cc1ccc2c(c1)Oc1cc(C)oc1N2c1ccccc1-c1ccccc1.
What is the InChIKey of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is HDPYAOQSQBJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-16-12-13-21-22(14-16)27-23-15-17(2)26-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3.
What are the key properties of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine?
2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 353.42 g/mol, XLogP of 7.14, 2 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-phenylphenyl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).