3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one

C14H15NO4 — CID 140976769

IUPAC3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(Cc2ccc(O)cc2)c1O
InChIInChI=1S/C14H15NO4/c16-8-7-15-6-5-13(18)14(19)12(15)9-10-1-3-11(17)4-2-10/h1-6,16-17,19H,7-9H2
InChIKeyZKAASIBNZGVADN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.84
Rot. Bonds4

About 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one (PubChem CID 140976769) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one
PubChem CID140976769
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(Cc2ccc(O)cc2)c1O
InChIInChI=1S/C14H15NO4/c16-8-7-15-6-5-13(18)14(19)12(15)9-10-1-3-11(17)4-2-10/h1-6,16-17,19H,7-9H2
InChIKeyZKAASIBNZGVADN-UHFFFAOYSA-N
XLogP0.84
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one (CID 140976769) is 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one is O=c1ccn(CCO)c(Cc2ccc(O)cc2)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one?
The InChIKey is ZKAASIBNZGVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-8-7-15-6-5-13(18)14(19)12(15)9-10-1-3-11(17)4-2-10/h1-6,16-17,19H,7-9H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one has a molecular weight of 261.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 140976769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).