2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone

C16H17NO5 — CID 166012347

IUPAC2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
SMILESCOc1cc(CO)ccc1OCc1ncccc1C(=O)CO
InChIInChI=1S/C16H17NO5/c1-21-16-7-11(8-18)4-5-15(16)22-10-13-12(14(20)9-19)3-2-6-17-13/h2-7,18-19H,8-10H2,1H3
InChIKeyNFVMKGBKLVIZNN-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.34
Rot. Bonds7

About 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone

2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone (PubChem CID 166012347) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
PubChem CID166012347
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
SMILESCOc1cc(CO)ccc1OCc1ncccc1C(=O)CO
InChIInChI=1S/C16H17NO5/c1-21-16-7-11(8-18)4-5-15(16)22-10-13-12(14(20)9-19)3-2-6-17-13/h2-7,18-19H,8-10H2,1H3
InChIKeyNFVMKGBKLVIZNN-UHFFFAOYSA-N
XLogP1.34
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67232650
methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 69214137
[4-[[6-(ethylamino)-3-pyridinyl]methoxy]-3-methoxyphenyl]methanol
CID 107744742
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
CID 3903060
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone (CID 166012347) is 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone is COc1cc(CO)ccc1OCc1ncccc1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone?
The InChIKey is NFVMKGBKLVIZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-16-7-11(8-18)4-5-15(16)22-10-13-12(14(20)9-19)3-2-6-17-13/h2-7,18-19H,8-10H2,1H3.
What are the key properties of 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone?
2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone has a molecular weight of 303.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 166012347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).