ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate

C19H23NO7 — CID 71692099

IUPACethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)CC(c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H23NO7/c1-5-27-16(22)9-12(17-13(21)6-10(2)20-19(17)24)11-7-14(25-3)18(23)15(8-11)26-4/h6-8,12,23H,5,9H2,1-4H3,(H2,20,21,24)
InChIKeyFSSDKCFLIWOWPM-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.20
Rot. Bonds7

About ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate

ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 71692099) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
PubChem CID71692099
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Nameethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)CC(c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C19H23NO7/c1-5-27-16(22)9-12(17-13(21)6-10(2)20-19(17)24)11-7-14(25-3)18(23)15(8-11)26-4/h6-8,12,23H,5,9H2,1-4H3,(H2,20,21,24)
InChIKeyFSSDKCFLIWOWPM-UHFFFAOYSA-N
XLogP2.20
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate with MolForge

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Related Compounds

ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 95859408
methyl (3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 96556711
ethyl (3S)-3-(3,4-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 95793135
ethyl (3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
CID 95792195
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[2-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95860068
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
CID 95860341
ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
CID 95793020
ethyl 2-[4-[(1S)-3-amino-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-5-oxo-1,2-dihydropyrazol-3-yl]acetate
CID 124890931
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate (CID 71692099) is ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate is CCOC(=O)CC(c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is FSSDKCFLIWOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7/c1-5-27-16(22)9-12(17-13(21)6-10(2)20-19(17)24)11-7-14(25-3)18(23)15(8-11)26-4/h6-8,12,23H,5,9H2,1-4H3,(H2,20,21,24).
What are the key properties of ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate?
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 377.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 71692099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).