(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one

C19H19NO3 — CID 71817404

IUPAC(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one
SMILESCOc1ccc(CN2C(=O)C=C[C@@H](O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-23-16-9-7-14(8-10-16)13-20-18(22)12-11-17(21)19(20)15-5-3-2-4-6-15/h2-12,17,19,21H,13H2,1H3/t17-,19+/m1/s1
InChIKeyJIAHAKCDTVAJIW-MJGOQNOKSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds4

About (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one

(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one (PubChem CID 71817404) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one
PubChem CID71817404
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one
SMILESCOc1ccc(CN2C(=O)C=C[C@@H](O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-23-16-9-7-14(8-10-16)13-20-18(22)12-11-17(21)19(20)15-5-3-2-4-6-15/h2-12,17,19,21H,13H2,1H3/t17-,19+/m1/s1
InChIKeyJIAHAKCDTVAJIW-MJGOQNOKSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one?
The IUPAC name of (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one (CID 71817404) is (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one is COc1ccc(CN2C(=O)C=C[C@@H](O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one?
The InChIKey is JIAHAKCDTVAJIW-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-16-9-7-14(8-10-16)13-20-18(22)12-11-17(21)19(20)15-5-3-2-4-6-15/h2-12,17,19,21H,13H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one?
(2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one has a molecular weight of 309.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 71817404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).