3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one

C22H15FO2 — CID 2802336

IUPAC3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
SMILESO=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15FO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-14,22H
InChIKeySEILYCOKUFEFFX-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.23
Rot. Bonds2

About 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one

3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one (PubChem CID 2802336) has the molecular formula C22H15FO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
PubChem CID2802336
Molecular FormulaC22H15FO2
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
SMILESO=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15FO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-14,22H
InChIKeySEILYCOKUFEFFX-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one (CID 2802336) is 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one is O=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one?
The InChIKey is SEILYCOKUFEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-14,22H.
What are the key properties of 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one?
3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one has a molecular weight of 330.36 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one is sourced from PubChem (CID 2802336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).