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

C18H15FO2 — CID 118721981

IUPAC3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one
SMILESCCc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIInChI=1S/C18H15FO2/c1-2-12-6-8-13(9-7-12)16-11-21-18(20)17(16)14-4-3-5-15(19)10-14/h3-10H,2,11H2,1H3
InChIKeyBAOIOVGYDQIHQK-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.86
Rot. Bonds3

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

3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one (PubChem CID 118721981) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one
PubChem CID118721981
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one
SMILESCCc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIInChI=1S/C18H15FO2/c1-2-12-6-8-13(9-7-12)16-11-21-18(20)17(16)14-4-3-5-15(19)10-14/h3-10H,2,11H2,1H3
InChIKeyBAOIOVGYDQIHQK-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenethyl Benzoate
CID 7194
Benzyl phenylacetate
CID 60999
Cinnamyl benzoate
CID 5705112
Dimethyl 4,4'-biphenyldicarboxylate
CID 13099
Geranyl phenylacetate
CID 5366044
3-Phenylpropyl benzoate
CID 346273
Cinnamyl phenylacetate
CID 5370599
Flurbiprofen Methyl Ester
CID 4127
Fluenetil
CID 20288
4-Biphenylylacetic acid ethyl ester
CID 26436
(Z)-3,7-Dimethylocta-2,6-dienyl phenylacetate
CID 6436374
3,4-diphenyl-5H-furan-2-one
CID 344049

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one (CID 118721981) is 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one is CCc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one?
The InChIKey is BAOIOVGYDQIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-2-12-6-8-13(9-7-12)16-11-21-18(20)17(16)14-4-3-5-15(19)10-14/h3-10H,2,11H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one?
3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one has a molecular weight of 282.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-4-(3-fluorophenyl)-2H-furan-5-one is sourced from PubChem (CID 118721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).