(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one

C19H15F3O3 — CID 73348388

IUPAC(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2c(F)cc(F)cc2-c2ccc(F)cc2)O1
InChIInChI=1S/C19H15F3O3/c20-12-3-1-11(2-4-12)17-7-13(21)8-18(22)16(17)6-5-15-9-14(23)10-19(24)25-15/h1-8,14-15,23H,9-10H2/b6-5+/t14-,15-/m1/s1
InChIKeyGCAHUKVKFOSJJQ-XEVLESSRSA-N
MW348.32 g/mol
LogP3.85
Rot. Bonds3

About (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 73348388) has the molecular formula C19H15F3O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID73348388
Molecular FormulaC19H15F3O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](/C=C/c2c(F)cc(F)cc2-c2ccc(F)cc2)O1
InChIInChI=1S/C19H15F3O3/c20-12-3-1-11(2-4-12)17-7-13(21)8-18(22)16(17)6-5-15-9-14(23)10-19(24)25-15/h1-8,14-15,23H,9-10H2/b6-5+/t14-,15-/m1/s1
InChIKeyGCAHUKVKFOSJJQ-XEVLESSRSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one (CID 73348388) is (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one is O=C1C[C@H](O)C[C@@H](/C=C/c2c(F)cc(F)cc2-c2ccc(F)cc2)O1.
What is the InChIKey of (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is GCAHUKVKFOSJJQ-XEVLESSRSA-N. The full InChI is InChI=1S/C19H15F3O3/c20-12-3-1-11(2-4-12)17-7-13(21)8-18(22)16(17)6-5-15-9-14(23)10-19(24)25-15/h1-8,14-15,23H,9-10H2/b6-5+/t14-,15-/m1/s1.
What are the key properties of (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 348.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[(E)-2-[2,4-difluoro-6-(4-fluorophenyl)phenyl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 73348388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).