(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one

C21H23NO4 — CID 57175571

IUPAC(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one
SMILESCOc1ccc(-c2nc(C)cc(C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C21H23NO4/c1-13-10-14(2)22-21(15-4-6-17(25-3)7-5-15)19(13)9-8-18-11-16(23)12-20(24)26-18/h4-10,16,18,23H,11-12H2,1-3H3/t16-,18-/m1/s1
InChIKeyFYTDSYFENOGAAI-SJLPKXTDSA-N
MW353.42 g/mol
LogP3.45
Rot. Bonds4

About (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one

(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one (PubChem CID 57175571) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one
PubChem CID57175571
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one
SMILESCOc1ccc(-c2nc(C)cc(C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1
InChIInChI=1S/C21H23NO4/c1-13-10-14(2)22-21(15-4-6-17(25-3)7-5-15)19(13)9-8-18-11-16(23)12-20(24)26-18/h4-10,16,18,23H,11-12H2,1-3H3/t16-,18-/m1/s1
InChIKeyFYTDSYFENOGAAI-SJLPKXTDSA-N
XLogP3.45
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-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-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one (CID 57175571) is (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one is COc1ccc(-c2nc(C)cc(C)c2C=C[C@@H]2C[C@@H](O)CC(=O)O2)cc1.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one?
The InChIKey is FYTDSYFENOGAAI-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-10-14(2)22-21(15-4-6-17(25-3)7-5-15)19(13)9-8-18-11-16(23)12-20(24)26-18/h4-10,16,18,23H,11-12H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.45, 4 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-[2-[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]ethenyl]oxan-2-one is sourced from PubChem (CID 57175571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).