(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

C17H19NO3 — CID 107502643

IUPAC(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C17H19NO3/c1-12-10-14(11-13(2)18-12)17(19)15-6-4-5-7-16(15)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXSINZMXGJWJSBG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.95
Rot. Bonds6

About (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 107502643) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID107502643
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C17H19NO3/c1-12-10-14(11-13(2)18-12)17(19)15-6-4-5-7-16(15)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXSINZMXGJWJSBG-UHFFFAOYSA-N
XLogP2.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.95
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-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 107502643) is (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cc(C)nc(C)c1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is XSINZMXGJWJSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-10-14(11-13(2)18-12)17(19)15-6-4-5-7-16(15)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 285.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 107502643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).