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

C16H15NO — CID 101464312

IUPAC3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESC=Cc1ccc(N2COc3ccccc3C2)cc1
InChIInChI=1S/C16H15NO/c1-2-13-7-9-15(10-8-13)17-11-14-5-3-4-6-16(14)18-12-17/h2-10H,1,11-12H2
InChIKeyDHUFLOAPAZBHGM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.69
Rot. Bonds2

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

3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 101464312) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID101464312
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESC=Cc1ccc(N2COc3ccccc3C2)cc1
InChIInChI=1S/C16H15NO/c1-2-13-7-9-15(10-8-13)17-11-14-5-3-4-6-16(14)18-12-17/h2-10H,1,11-12H2
InChIKeyDHUFLOAPAZBHGM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
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
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
3-[4-[4-[bis[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]methyl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 59431044
3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247
3-[4-[4-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 118013492
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
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
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
bis[3-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl-oxidophosphanium
CID 102030085
6-(1-adamantyl)-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86011389

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 101464312) is 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine is C=Cc1ccc(N2COc3ccccc3C2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is DHUFLOAPAZBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-13-7-9-15(10-8-13)17-11-14-5-3-4-6-16(14)18-12-17/h2-10H,1,11-12H2.
What are the key properties of 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine?
3-(4-ethenylphenyl)-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 3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 101464312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).