7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine

C18H21NO4 — CID 14195480

IUPAC7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
SMILESCOc1cc(OC)c2c(c1)OCCN(C)OC2c1ccccc1
InChIInChI=1S/C18H21NO4/c1-19-9-10-22-16-12-14(20-2)11-15(21-3)17(16)18(23-19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyIPVMABVYLAWYSR-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.05
Rot. Bonds3

About 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine

7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine (PubChem CID 14195480) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine.

Molecular Properties

Compound Name7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
PubChem CID14195480
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
SMILESCOc1cc(OC)c2c(c1)OCCN(C)OC2c1ccccc1
InChIInChI=1S/C18H21NO4/c1-19-9-10-22-16-12-14(20-2)11-15(21-3)17(16)18(23-19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyIPVMABVYLAWYSR-UHFFFAOYSA-N
XLogP3.05
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine?
The IUPAC name of 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine (CID 14195480) is 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine.
What is the SMILES notation for 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine?
The canonical SMILES for 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine is COc1cc(OC)c2c(c1)OCCN(C)OC2c1ccccc1.
What is the InChIKey of 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine?
The InChIKey is IPVMABVYLAWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19-9-10-22-16-12-14(20-2)11-15(21-3)17(16)18(23-19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine?
7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine has a molecular weight of 315.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine is sourced from PubChem (CID 14195480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).