(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one

C28H29NO4 — CID 73355938

IUPAC(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(C(C)C)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1
InChIKeyRHFOAKIAPXDZKW-DOZDWOLESA-N
MW443.54 g/mol
LogP5.63
Rot. Bonds6

About (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one

(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one (PubChem CID 73355938) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one
PubChem CID73355938
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(C(C)C)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1
InChIKeyRHFOAKIAPXDZKW-DOZDWOLESA-N
XLogP5.63
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-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)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one (CID 73355938) is (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one is COc1ccc(-c2cc(-c3ccccc3)nc(C(C)C)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one?
The InChIKey is RHFOAKIAPXDZKW-DOZDWOLESA-N. The full InChI is InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one has a molecular weight of 443.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-hydroxy-6-[(E)-2-[4-(4-methoxyphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]ethenyl]oxan-2-one is sourced from PubChem (CID 73355938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).