3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

C23H26N2O6 — CID 54677330

IUPAC3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCCOc1cc(C(c2c(O)cc(=O)n(C)c2C)c2c(O)cc(C)n(C)c2=O)ccc1O
InChIInChI=1S/C23H26N2O6/c1-6-31-18-10-14(7-8-15(18)26)21(20-13(3)25(5)19(29)11-17(20)28)22-16(27)9-12(2)24(4)23(22)30/h7-11,21,26-28H,6H2,1-5H3
InChIKeyFNVSLVFVRYTSRJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.40
Rot. Bonds5

About 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one

3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54677330) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54677330
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCCOc1cc(C(c2c(O)cc(=O)n(C)c2C)c2c(O)cc(C)n(C)c2=O)ccc1O
InChIInChI=1S/C23H26N2O6/c1-6-31-18-10-14(7-8-15(18)26)21(20-13(3)25(5)19(29)11-17(20)28)22-16(27)9-12(2)24(4)23(22)30/h7-11,21,26-28H,6H2,1-5H3
InChIKeyFNVSLVFVRYTSRJ-UHFFFAOYSA-N
XLogP2.40
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54677330) is 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is CCOc1cc(C(c2c(O)cc(=O)n(C)c2C)c2c(O)cc(C)n(C)c2=O)ccc1O.
What is the InChIKey of 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is FNVSLVFVRYTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-6-31-18-10-14(7-8-15(18)26)21(20-13(3)25(5)19(29)11-17(20)28)22-16(27)9-12(2)24(4)23(22)30/h7-11,21,26-28H,6H2,1-5H3.
What are the key properties of 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one?
3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 426.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-hydroxyphenyl)-(4-hydroxy-1,2-dimethyl-6-oxo-3-pyridinyl)methyl]-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54677330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).