1-(3-phenylmethoxy-2-pyridinyl)ethanone

C14H13NO2 — CID 20585174

IUPAC1-(3-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)14-13(8-5-9-15-14)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyPTYNFLFMHHBKEJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.86
Rot. Bonds4

About 1-(3-phenylmethoxy-2-pyridinyl)ethanone

1-(3-phenylmethoxy-2-pyridinyl)ethanone (PubChem CID 20585174) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-phenylmethoxy-2-pyridinyl)ethanone
PubChem CID20585174
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(3-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)14-13(8-5-9-15-14)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyPTYNFLFMHHBKEJ-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)ethanone (CID 20585174) is 1-(3-phenylmethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-phenylmethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-phenylmethoxy-2-pyridinyl)ethanone is CC(=O)c1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxy-2-pyridinyl)ethanone?
The InChIKey is PTYNFLFMHHBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)14-13(8-5-9-15-14)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(3-phenylmethoxy-2-pyridinyl)ethanone?
1-(3-phenylmethoxy-2-pyridinyl)ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 20585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).