2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one

C17H13NO2 — CID 4885938

IUPAC2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
SMILESCc1ccc(C=Cc2nc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H13NO2/c1-12-6-8-13(9-7-12)10-11-16-18-17(19)14-4-2-3-5-15(14)20-16/h2-11H,1H3
InChIKeyMDHPNNJGDBTOOB-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.67
Rot. Bonds2

About 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one

2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one (PubChem CID 4885938) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
PubChem CID4885938
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
SMILESCc1ccc(C=Cc2nc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H13NO2/c1-12-6-8-13(9-7-12)10-11-16-18-17(19)14-4-2-3-5-15(14)20-16/h2-11H,1H3
InChIKeyMDHPNNJGDBTOOB-UHFFFAOYSA-N
XLogP3.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazin-4-one;perchloric acid
CID 73242600
2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
CID 4891351
2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
CID 4888492
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642
[2-[(Z)-2-(4-oxo-1,3-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 92955813
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284965
6-iodo-2-[(E)-2-(4-methylphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 53329596
2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
CID 68742008

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one?
The IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one (CID 4885938) is 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one?
The canonical SMILES for 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one is Cc1ccc(C=Cc2nc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one?
The InChIKey is MDHPNNJGDBTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-6-8-13(9-7-12)10-11-16-18-17(19)14-4-2-3-5-15(14)20-16/h2-11H,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one?
2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one has a molecular weight of 263.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one is sourced from PubChem (CID 4885938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).