1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone

C15H15NO2 — CID 82037403

IUPAC1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OC(C)c2ccccn2)c1
InChIInChI=1S/C15H15NO2/c1-11(17)13-6-5-7-14(10-13)18-12(2)15-8-3-4-9-16-15/h3-10,12H,1-2H3
InChIKeyRDBMFUWGSXQMQT-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.42
Rot. Bonds4

About 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone

1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone (PubChem CID 82037403) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
PubChem CID82037403
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OC(C)c2ccccn2)c1
InChIInChI=1S/C15H15NO2/c1-11(17)13-6-5-7-14(10-13)18-12(2)15-8-3-4-9-16-15/h3-10,12H,1-2H3
InChIKeyRDBMFUWGSXQMQT-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
CID 117051942
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
4-(1-pyridin-2-ylethoxy)benzoyl chloride
CID 86648380
methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 95040643
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
1-(3-hydroperoxyphenyl)ethanone
CID 21289599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone (CID 82037403) is 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone is CC(=O)c1cccc(OC(C)c2ccccn2)c1.
What is the InChIKey of 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone?
The InChIKey is RDBMFUWGSXQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(17)13-6-5-7-14(10-13)18-12(2)15-8-3-4-9-16-15/h3-10,12H,1-2H3.
What are the key properties of 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone?
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 82037403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).