5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione

C16H11FO4 — CID 91118384

IUPAC5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione
SMILESO=C1OC(c2ccc(-c3ccc(F)cc3)cc2)C(=O)C1O
InChIInChI=1S/C16H11FO4/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)15-13(18)14(19)16(20)21-15/h1-8,14-15,19H
InChIKeySTZURXJITXAWGB-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.02
Rot. Bonds2

About 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione

5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione (PubChem CID 91118384) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione
PubChem CID91118384
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione
SMILESO=C1OC(c2ccc(-c3ccc(F)cc3)cc2)C(=O)C1O
InChIInChI=1S/C16H11FO4/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)15-13(18)14(19)16(20)21-15/h1-8,14-15,19H
InChIKeySTZURXJITXAWGB-UHFFFAOYSA-N
XLogP2.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(4-chlorophenyl)-3-hydroxyoxolane-2,4-dione
CID 54369894
2-(4-fluorophenyl)-3,4-dihydroxy-2H-furan-5-one
CID 86296038
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
CID 44605460
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 57333501
2-[4-(4-fluorophenyl)phenyl]-1,3-dioxane-5-thiol
CID 129171150
2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol
CID 102265696
5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
CID 171664113
4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione
CID 91267663
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione?
The IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione (CID 91118384) is 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione.
What is the SMILES notation for 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione?
The canonical SMILES for 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione is O=C1OC(c2ccc(-c3ccc(F)cc3)cc2)C(=O)C1O.
What is the InChIKey of 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione?
The InChIKey is STZURXJITXAWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-12-7-5-10(6-8-12)9-1-3-11(4-2-9)15-13(18)14(19)16(20)21-15/h1-8,14-15,19H.
What are the key properties of 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione?
5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione has a molecular weight of 286.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione is sourced from PubChem (CID 91118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).