(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

C20H20FNO3 — CID 14460200

IUPAC(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
InChIInChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/m1/s1
InChIKeyANOPSFFNQJWFSF-NXVGNOFTSA-N
MW341.38 g/mol
LogP3.58
Rot. Bonds3

About (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 14460200) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID14460200
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1
InChIInChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/m1/s1
InChIKeyANOPSFFNQJWFSF-NXVGNOFTSA-N
XLogP3.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one (CID 14460200) is (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1.
What is the InChIKey of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is ANOPSFFNQJWFSF-NXVGNOFTSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12-9-19(14-3-5-15(21)6-4-14)18(13(2)22-12)8-7-17-10-16(23)11-20(24)25-17/h3-9,16-17,23H,10-11H2,1-2H3/b8-7+/t16-,17-/m1/s1.
What are the key properties of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 14460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).