1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone

C14H13NO3 — CID 83119591

IUPAC1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2CO)cn1
InChIInChI=1S/C14H13NO3/c1-10(17)13-7-6-12(8-15-13)18-14-5-3-2-4-11(14)9-16/h2-8,16H,9H2,1H3
InChIKeyFPRROTZRHUTFFE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.57
Rot. Bonds4

About 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone

1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone (PubChem CID 83119591) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
PubChem CID83119591
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2CO)cn1
InChIInChI=1S/C14H13NO3/c1-10(17)13-7-6-12(8-15-13)18-14-5-3-2-4-11(14)9-16/h2-8,16H,9H2,1H3
InChIKeyFPRROTZRHUTFFE-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone (CID 83119591) is 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccccc2CO)cn1.
What is the InChIKey of 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone?
The InChIKey is FPRROTZRHUTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(17)13-7-6-12(8-15-13)18-14-5-3-2-4-11(14)9-16/h2-8,16H,9H2,1H3.
What are the key properties of 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone?
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone has a molecular weight of 243.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).