6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one

C22H17NO2 — CID 11702621

IUPAC6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C=C(c3ccccc3)c3ccccc3)cc2N1
InChIInChI=1S/C22H17NO2/c24-22-15-25-21-12-11-16(14-20(21)23-22)13-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24)
InChIKeyDKAMFPPDDUNIBA-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.61
Rot. Bonds3

About 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one

6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one (PubChem CID 11702621) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one
PubChem CID11702621
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C=C(c3ccccc3)c3ccccc3)cc2N1
InChIInChI=1S/C22H17NO2/c24-22-15-25-21-12-11-16(14-20(21)23-22)13-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24)
InChIKeyDKAMFPPDDUNIBA-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
6-[2-(3-methylphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68982207
6-[2-(3-fluoro-4-hydroxyphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68977937
[(3-oxo-4H-1,4-benzoxazin-6-yl)methylideneamino]thiourea
CID 168534975
5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 87966357
(3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
CID 57415809
6-(3-methylbenzoyl)-4H-1,4-benzoxazin-3-one
CID 43161468
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638104
4-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]benzaldehyde
CID 76611328
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one (CID 11702621) is 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C=C(c3ccccc3)c3ccccc3)cc2N1.
What is the InChIKey of 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is DKAMFPPDDUNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-22-15-25-21-12-11-16(14-20(21)23-22)13-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,24).
What are the key properties of 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one?
6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 327.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11702621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).