(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

C17H19NO3 — CID 104659439

IUPAC(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCCc1cnccc1C(=O)c1ccccc1OCCOC
InChIInChI=1S/C17H19NO3/c1-3-13-12-18-9-8-14(13)17(19)15-6-4-5-7-16(15)21-11-10-20-2/h4-9,12H,3,10-11H2,1-2H3
InChIKeyFHVACQMELLWMAT-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.90
Rot. Bonds7

About (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 104659439) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID104659439
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCCc1cnccc1C(=O)c1ccccc1OCCOC
InChIInChI=1S/C17H19NO3/c1-3-13-12-18-9-8-14(13)17(19)15-6-4-5-7-16(15)21-11-10-20-2/h4-9,12H,3,10-11H2,1-2H3
InChIKeyFHVACQMELLWMAT-UHFFFAOYSA-N
XLogP2.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 103443277
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 104659439) is (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is CCc1cnccc1C(=O)c1ccccc1OCCOC.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is FHVACQMELLWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-13-12-18-9-8-14(13)17(19)15-6-4-5-7-16(15)21-11-10-20-2/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 285.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 104659439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).