3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one

C17H13FO2 — CID 118721955

IUPAC3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1
InChIInChI=1S/C17H13FO2/c1-11-2-4-13(5-3-11)16-15(10-20-17(16)19)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3
InChIKeyMJSKFULEJGWAEY-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.60
Rot. Bonds2

About 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one

3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one (PubChem CID 118721955) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
PubChem CID118721955
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1
InChIInChI=1S/C17H13FO2/c1-11-2-4-13(5-3-11)16-15(10-20-17(16)19)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3
InChIKeyMJSKFULEJGWAEY-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one (CID 118721955) is 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one is Cc1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is MJSKFULEJGWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c1-11-2-4-13(5-3-11)16-15(10-20-17(16)19)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one?
3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one has a molecular weight of 268.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 118721955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).