2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine

C22H23NO2 — CID 59572870

IUPAC2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3COc3cc(C)oc32)c(C)c1
InChIInChI=1S/C22H23NO2/c1-13-6-7-19-18(10-13)12-24-20-11-17(5)25-22(20)23(19)21-15(3)8-14(2)9-16(21)4/h6-11H,12H2,1-5H3
InChIKeyNEZQKMAAALIUKU-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.18
Rot. Bonds1

About 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine

2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572870) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572870
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3COc3cc(C)oc32)c(C)c1
InChIInChI=1S/C22H23NO2/c1-13-6-7-19-18(10-13)12-24-20-11-17(5)25-22(20)23(19)21-15(3)8-14(2)9-16(21)4/h6-11H,12H2,1-5H3
InChIKeyNEZQKMAAALIUKU-UHFFFAOYSA-N
XLogP6.18
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572870) is 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine is Cc1cc(C)c(N2c3ccc(C)cc3COc3cc(C)oc32)c(C)c1.
What is the InChIKey of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is NEZQKMAAALIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13-6-7-19-18(10-13)12-24-20-11-17(5)25-22(20)23(19)21-15(3)8-14(2)9-16(21)4/h6-11H,12H2,1-5H3.
What are the key properties of 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 333.43 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).