9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine

C23H19NO2 — CID 59572469

IUPAC9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
SMILESCc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C23H19NO2/c1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22/h3-13H,14H2,1-2H3
InChIKeyHNZXHWUGFGGEKB-UHFFFAOYSA-N
MW341.41 g/mol
LogP6.41
Rot. Bonds1

About 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine

9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine (PubChem CID 59572469) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
PubChem CID59572469
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
SMILESCc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C23H19NO2/c1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22/h3-13H,14H2,1-2H3
InChIKeyHNZXHWUGFGGEKB-UHFFFAOYSA-N
XLogP6.41
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572214
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
5-(4-Tert-butyl-2,6-dimethylphenyl)-2,9-dimethyl-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59572265
2-(3,4-dihydro-2H-chromen-8-yl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59572275
10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572281
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
6-(2-Methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572372
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
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
CID 59572382
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572396

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The IUPAC name of 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine (CID 59572469) is 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine is Cc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C.
What is the InChIKey of 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The InChIKey is HNZXHWUGFGGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22/h3-13H,14H2,1-2H3.
What are the key properties of 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine has a molecular weight of 341.41 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).