6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine

C16H15NO — CID 132523463

IUPAC6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESC=Cc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C16H15NO/c1-2-13-8-9-16-14(10-13)11-17(12-18-16)15-6-4-3-5-7-15/h2-10H,1,11-12H2
InChIKeyTUBVAFWCVGCRSP-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.69
Rot. Bonds2

About 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine

6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 132523463) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID132523463
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESC=Cc1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C16H15NO/c1-2-13-8-9-16-14(10-13)11-17(12-18-16)15-6-4-3-5-7-15/h2-10H,1,11-12H2
InChIKeyTUBVAFWCVGCRSP-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 101464312
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
2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)isoindole-1,3-dione
CID 132556559
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
6-(1-adamantyl)-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86011389
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181
6-pentadecyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 167110484
(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl) undec-10-enoate
CID 122390286
methane;tris(3-phenyl-2,4-dihydro-1,3-benzoxazine);3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine;propane
CID 158853295
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-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 132523463) is 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine is C=Cc1ccc2c(c1)CN(c1ccccc1)CO2.
What is the InChIKey of 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is TUBVAFWCVGCRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-13-8-9-16-14(10-13)11-17(12-18-16)15-6-4-3-5-7-15/h2-10H,1,11-12H2.
What are the key properties of 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 237.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 132523463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).