4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one

C14H15NO4 — CID 164640009

IUPAC4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO4/c1-9-6-12(17)7-14(19)15(9)8-13(18)10-2-4-11(16)5-3-10/h2-7,13,16-18H,8H2,1H3/t13-/m0/s1
InChIKeyQDMUYQXJBGQNLM-ZDUSSCGKSA-N
MW261.28 g/mol
LogP1.30
Rot. Bonds3

About 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one

4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one (PubChem CID 164640009) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one
PubChem CID164640009
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO4/c1-9-6-12(17)7-14(19)15(9)8-13(18)10-2-4-11(16)5-3-10/h2-7,13,16-18H,8H2,1H3/t13-/m0/s1
InChIKeyQDMUYQXJBGQNLM-ZDUSSCGKSA-N
XLogP1.30
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one (CID 164640009) is 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1C[C@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one?
The InChIKey is QDMUYQXJBGQNLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-6-12(17)7-14(19)15(9)8-13(18)10-2-4-11(16)5-3-10/h2-7,13,16-18H,8H2,1H3/t13-/m0/s1.
What are the key properties of 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one?
4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 164640009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).