3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine

C25H19NO2 — CID 70689133

IUPAC3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine
SMILESCOc1ccc(C2=NC(c3ccccc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C25H19NO2/c1-27-20-14-11-19(12-15-20)25-26-24(18-8-3-2-4-9-18)23-21-10-6-5-7-17(21)13-16-22(23)28-25/h2-16,24H,1H3
InChIKeyOSCBYOFEILSZEM-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.78
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine

3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine (PubChem CID 70689133) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine
PubChem CID70689133
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine
SMILESCOc1ccc(C2=NC(c3ccccc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C25H19NO2/c1-27-20-14-11-19(12-15-20)25-26-24(18-8-3-2-4-9-18)23-21-10-6-5-7-17(21)13-16-22(23)28-25/h2-16,24H,1H3
InChIKeyOSCBYOFEILSZEM-UHFFFAOYSA-N
XLogP5.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine 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 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine (CID 70689133) is 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine is COc1ccc(C2=NC(c3ccccc3)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine?
The InChIKey is OSCBYOFEILSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-27-20-14-11-19(12-15-20)25-26-24(18-8-3-2-4-9-18)23-21-10-6-5-7-17(21)13-16-22(23)28-25/h2-16,24H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine?
3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine has a molecular weight of 365.43 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine is sourced from PubChem (CID 70689133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).