7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine

C21H17NO — CID 118129533

IUPAC7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2
InChIInChI=1S/C21H17NO/c1-15-7-12-19-21(13-15)23-14-20(22-19)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyPZESDZGSXCFSHS-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.18
Rot. Bonds2

About 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine

7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine (PubChem CID 118129533) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine
PubChem CID118129533
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2
InChIInChI=1S/C21H17NO/c1-15-7-12-19-21(13-15)23-14-20(22-19)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyPZESDZGSXCFSHS-UHFFFAOYSA-N
XLogP5.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[4-(7-methyl-2H-1,4-benzoxazin-3-yl)phenyl]thiophen-2-yl]ethanone
CID 118149914
3-(4-fluorophenyl)-6-methyl-2H-1,4-benzoxazine
CID 1489660
3-benzylsulfanyl-7-methyl-2H-1,4-benzoxazine
CID 95917684
3-(3-bromophenyl)-2H-1,4-benzoxazine
CID 57325803
7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine
CID 118150111
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
3-(7-chloro-2H-1,4-benzoxazin-3-yl)benzoic acid
CID 118129498
7-methyl-3-[(3-methylphenyl)methylsulfanyl]-2H-1,4-benzoxazine
CID 95922200
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine
CID 101460737

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The IUPAC name of 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine (CID 118129533) is 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine is Cc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2.
What is the InChIKey of 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The InChIKey is PZESDZGSXCFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-15-7-12-19-21(13-15)23-14-20(22-19)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine has a molecular weight of 299.37 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-phenylphenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 118129533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).