[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone

C16H17NO3 — CID 105128294

IUPAC[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(C)nc1
InChIInChI=1S/C16H17NO3/c1-12-7-8-13(11-17-12)16(18)14-5-3-4-6-15(14)20-10-9-19-2/h3-8,11H,9-10H2,1-2H3
InChIKeyHFFVWTMSZUHSQZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds6

About [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone

[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 105128294) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
PubChem CID105128294
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(C)nc1
InChIInChI=1S/C16H17NO3/c1-12-7-8-13(11-17-12)16(18)14-5-3-4-6-15(14)20-10-9-19-2/h3-8,11H,9-10H2,1-2H3
InChIKeyHFFVWTMSZUHSQZ-UHFFFAOYSA-N
XLogP2.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
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

(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(2-methoxy-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 106790353
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 103443277
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone (CID 105128294) is [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone is COCCOc1ccccc1C(=O)c1ccc(C)nc1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is HFFVWTMSZUHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-7-8-13(11-17-12)16(18)14-5-3-4-6-15(14)20-10-9-19-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone?
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105128294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).