1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone

C14H13NO2 — CID 39773387

IUPAC1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(CO)cc2)nc1
InChIInChI=1S/C14H13NO2/c1-10(17)13-6-7-14(15-8-13)12-4-2-11(9-16)3-5-12/h2-8,16H,9H2,1H3
InChIKeyZQXJXOVWNKMLIC-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.44
Rot. Bonds3

About 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone

1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone (PubChem CID 39773387) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone
PubChem CID39773387
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(CO)cc2)nc1
InChIInChI=1S/C14H13NO2/c1-10(17)13-6-7-14(15-8-13)12-4-2-11(9-16)3-5-12/h2-8,16H,9H2,1H3
InChIKeyZQXJXOVWNKMLIC-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone (CID 39773387) is 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc(CO)cc2)nc1.
What is the InChIKey of 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone?
The InChIKey is ZQXJXOVWNKMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(17)13-6-7-14(15-8-13)12-4-2-11(9-16)3-5-12/h2-8,16H,9H2,1H3.
What are the key properties of 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone?
1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 39773387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).