ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

C16H17NO5 — CID 90667379

IUPACethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(O)cc2)cn(C)c1=O
InChIInChI=1S/C16H17NO5/c1-4-22-16(20)13-14(21-3)12(9-17(2)15(13)19)10-5-7-11(18)8-6-10/h5-9,18H,4H2,1-3H3
InChIKeyQHOVTGQPOWKXDH-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.94
Rot. Bonds4

About ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 90667379) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID90667379
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Nameethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(O)cc2)cn(C)c1=O
InChIInChI=1S/C16H17NO5/c1-4-22-16(20)13-14(21-3)12(9-17(2)15(13)19)10-5-7-11(18)8-6-10/h5-9,18H,4H2,1-3H3
InChIKeyQHOVTGQPOWKXDH-UHFFFAOYSA-N
XLogP1.94
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
CID 129008908
decyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 137639906
(-)-Sambutoxin
CID 54724817
3-[(2E,4E,6E)-6,8-dimethyldeca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-4-methoxy-1H-pyridin-2-one
CID 137657173
Sambutoxin
CID 54710553
Sambutoxin B
CID 170990399
5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70681763
5-[2-(4-hydroxyphenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70686013
ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 90667390
pent-4-enyl 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 137654287
3-[(2S,5R,6R)-6-[(Z,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
CID 134158439
Orbiocrellin B
CID 139583776

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (CID 90667379) is ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is CCOC(=O)c1c(OC)c(-c2ccc(O)cc2)cn(C)c1=O.
What is the InChIKey of ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is QHOVTGQPOWKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-22-16(20)13-14(21-3)12(9-17(2)15(13)19)10-5-7-11(18)8-6-10/h5-9,18H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-hydroxyphenyl)-4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 90667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).