[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone

C24H25NO5 — CID 166633354

IUPAC[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone
SMILESCOCCOc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C24H25NO5/c1-16-8-10-17(11-9-16)19-6-5-7-20(25-19)23(26)18-14-21(28-3)24(22(15-18)29-4)30-13-12-27-2/h5-11,14-15H,12-13H2,1-4H3
InChIKeyFLRAFGXBSZKOHI-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.33
Rot. Bonds9

About [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone

[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone (PubChem CID 166633354) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone
PubChem CID166633354
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone
SMILESCOCCOc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C24H25NO5/c1-16-8-10-17(11-9-16)19-6-5-7-20(25-19)23(26)18-14-21(28-3)24(22(15-18)29-4)30-13-12-27-2/h5-11,14-15H,12-13H2,1-4H3
InChIKeyFLRAFGXBSZKOHI-UHFFFAOYSA-N
XLogP4.33
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The IUPAC name of [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone (CID 166633354) is [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The canonical SMILES for [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone is COCCOc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone?
The InChIKey is FLRAFGXBSZKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-8-10-17(11-9-16)19-6-5-7-20(25-19)23(26)18-14-21(28-3)24(22(15-18)29-4)30-13-12-27-2/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone?
[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone has a molecular weight of 407.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]-[6-(4-methylphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 166633354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).