5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one

C17H13FO3 — CID 171601580

IUPAC5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one
SMILESC=Cc1cccc2c1C(=O)OC(C)(c1ccc(F)cc1)O2
InChIInChI=1S/C17H13FO3/c1-3-11-5-4-6-14-15(11)16(19)21-17(2,20-14)12-7-9-13(18)10-8-12/h3-10H,1H2,2H3
InChIKeyGIWJYFWBOXUZRG-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.89
Rot. Bonds2

About 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one

5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one (PubChem CID 171601580) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one
PubChem CID171601580
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one
SMILESC=Cc1cccc2c1C(=O)OC(C)(c1ccc(F)cc1)O2
InChIInChI=1S/C17H13FO3/c1-3-11-5-4-6-14-15(11)16(19)21-17(2,20-14)12-7-9-13(18)10-8-12/h3-10H,1H2,2H3
InChIKeyGIWJYFWBOXUZRG-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 171601557
2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
CID 11148672
2-(3,5-difluorophenyl)-5-[(4-ethenylphenyl)methoxy]-2-methylbenzo[g][1,3]benzodioxin-4-one
CID 171601600
4-decan-4-yl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxole
CID 167010039
2-(4-fluorophenyl)-2-methyl-3H-1,3-benzoxazin-4-one
CID 23821936
1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)
CID 174896679
5-amino-2-(4-fluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 140833680
ethane;1-ethenyl-4-fluorobenzene
CID 143529924
5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 71492686
5-(2-chlorophenyl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 102434881

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one?
The IUPAC name of 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one (CID 171601580) is 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one.
What is the SMILES notation for 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one?
The canonical SMILES for 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one is C=Cc1cccc2c1C(=O)OC(C)(c1ccc(F)cc1)O2.
What is the InChIKey of 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one?
The InChIKey is GIWJYFWBOXUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c1-3-11-5-4-6-14-15(11)16(19)21-17(2,20-14)12-7-9-13(18)10-8-12/h3-10H,1H2,2H3.
What are the key properties of 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one?
5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(4-fluorophenyl)-2-methyl-1,3-benzodioxin-4-one is sourced from PubChem (CID 171601580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).