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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Related Compounds

3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-3-[4-[[4-[8-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 58526204
3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
CID 121441320
bis[3-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl-oxidophosphanium
CID 102030085
3-[4-[[4-[1-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2-methylpropan-2-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 163696105
bis(3-(3,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazine);bis(1-ethyl-2-(4-ethylphenyl)benzene);methane;bis(3-(3-phenylphenyl)-2,4-dihydro-1,3-benzoxazine)
CID 157174503
3,3-bis(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2-benzofuran-1-one;3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
CID 157414438
3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 101464312
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenyl]-2,4-dihydro-1,3-benzoxazine
CID 162786327

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).