[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate

C18H15FO3 — CID 118736205

IUPAC[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/c1ccccc1F)C(=O)c1ccccc1
InChIInChI=1S/C18H15FO3/c1-13(20)22-12-16(11-15-9-5-6-10-17(15)19)18(21)14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-
InChIKeyVQQYRJLQHCRUJO-WJDWOHSUSA-N
MW298.31 g/mol
LogP3.66
Rot. Bonds5

About [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate

[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate (PubChem CID 118736205) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate
PubChem CID118736205
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/c1ccccc1F)C(=O)c1ccccc1
InChIInChI=1S/C18H15FO3/c1-13(20)22-12-16(11-15-9-5-6-10-17(15)19)18(21)14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-
InChIKeyVQQYRJLQHCRUJO-WJDWOHSUSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate?
The IUPAC name of [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate (CID 118736205) is [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate?
The canonical SMILES for [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate is CC(=O)OC/C(=C/c1ccccc1F)C(=O)c1ccccc1.
What is the InChIKey of [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate?
The InChIKey is VQQYRJLQHCRUJO-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15FO3/c1-13(20)22-12-16(11-15-9-5-6-10-17(15)19)18(21)14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-.
What are the key properties of [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate?
[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate has a molecular weight of 298.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate is sourced from PubChem (CID 118736205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).