1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

C19H23NO5 — CID 57336498

IUPAC1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1
InChIInChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
InChIKeyIEFKPWNGVIDYEA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.26
Rot. Bonds9

About 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (PubChem CID 57336498) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
PubChem CID57336498
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1
InChIInChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
InChIKeyIEFKPWNGVIDYEA-UHFFFAOYSA-N
XLogP3.26
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (CID 57336498) is 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is CCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1.
What is the InChIKey of 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is IEFKPWNGVIDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24).
What are the key properties of 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 57336498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).