3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine

C21H19NO — CID 118403247

IUPAC3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc(Cc2cccc(N3COc4ccccc4C3)c2)cc1
InChIInChI=1S/C21H19NO/c1-2-7-17(8-3-1)13-18-9-6-11-20(14-18)22-15-19-10-4-5-12-21(19)23-16-22/h1-12,14H,13,15-16H2
InChIKeyZPJMCIFDWVHDLH-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.63
Rot. Bonds3

About 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine

3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 118403247) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID118403247
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc(Cc2cccc(N3COc4ccccc4C3)c2)cc1
InChIInChI=1S/C21H19NO/c1-2-7-17(8-3-1)13-18-9-6-11-20(14-18)22-15-19-10-4-5-12-21(19)23-16-22/h1-12,14H,13,15-16H2
InChIKeyZPJMCIFDWVHDLH-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 118403247) is 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine is c1ccc(Cc2cccc(N3COc4ccccc4C3)c2)cc1.
What is the InChIKey of 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is ZPJMCIFDWVHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-7-17(8-3-1)13-18-9-6-11-20(14-18)22-15-19-10-4-5-12-21(19)23-16-22/h1-12,14H,13,15-16H2.
What are the key properties of 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine?
3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 301.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 118403247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).