(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one

C19H19NO3 — CID 24775764

IUPAC(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc([C@@H]2CC(=O)C(C)=CN2c2ccccc2O)cc1
InChIInChI=1S/C19H19NO3/c1-13-12-20(16-5-3-4-6-18(16)21)17(11-19(13)22)14-7-9-15(23-2)10-8-14/h3-10,12,17,21H,11H2,1-2H3/t17-/m0/s1
InChIKeyHPWPDDWHKRJZNZ-KRWDZBQOSA-N
MW309.37 g/mol
LogP3.83
Rot. Bonds3

About (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one

(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one (PubChem CID 24775764) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one
PubChem CID24775764
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc([C@@H]2CC(=O)C(C)=CN2c2ccccc2O)cc1
InChIInChI=1S/C19H19NO3/c1-13-12-20(16-5-3-4-6-18(16)21)17(11-19(13)22)14-7-9-15(23-2)10-8-14/h3-10,12,17,21H,11H2,1-2H3/t17-/m0/s1
InChIKeyHPWPDDWHKRJZNZ-KRWDZBQOSA-N
XLogP3.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 56588373
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 34177913
3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide
CID 175093437
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163019065
1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
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(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one?
The IUPAC name of (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one (CID 24775764) is (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one?
The canonical SMILES for (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one is COc1ccc([C@@H]2CC(=O)C(C)=CN2c2ccccc2O)cc1.
What is the InChIKey of (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one?
The InChIKey is HPWPDDWHKRJZNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-12-20(16-5-3-4-6-18(16)21)17(11-19(13)22)14-7-9-15(23-2)10-8-14/h3-10,12,17,21H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one?
(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one has a molecular weight of 309.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 24775764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).