6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one

C14H15NO3 — CID 82518431

IUPAC6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C14H15NO3/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-16)14(17)15-13/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyRBWOFNDFQRIMOG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.93
Rot. Bonds4

About 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one

6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 82518431) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID82518431
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCOc1cccc(-c2ccc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C14H15NO3/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-16)14(17)15-13/h3-8,16H,2,9H2,1H3,(H,15,17)
InChIKeyRBWOFNDFQRIMOG-UHFFFAOYSA-N
XLogP1.93
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
3-(hydroxymethyl)-6-(3-methylphenyl)-1H-pyridin-2-one
CID 176681559
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one (CID 82518431) is 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one is CCOc1cccc(-c2ccc(CO)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is RBWOFNDFQRIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-12-5-3-4-10(8-12)13-7-6-11(9-16)14(17)15-13/h3-8,16H,2,9H2,1H3,(H,15,17).
What are the key properties of 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82518431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).