(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone

C23H23NO4 — CID 166633998

IUPAC(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone
SMILESCCc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)c(O)c3)n2)cc1OC
InChIInChI=1S/C23H23NO4/c1-5-17-21(27-3)12-16(13-22(17)28-4)23(26)19-8-6-7-18(24-19)15-10-9-14(2)20(25)11-15/h6-13,25H,5H2,1-4H3
InChIKeyNRPPLAOAUDBBAL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.57
Rot. Bonds6

About (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone

(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone (PubChem CID 166633998) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone
PubChem CID166633998
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone
SMILESCCc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)c(O)c3)n2)cc1OC
InChIInChI=1S/C23H23NO4/c1-5-17-21(27-3)12-16(13-22(17)28-4)23(26)19-8-6-7-18(24-19)15-10-9-14(2)20(25)11-15/h6-13,25H,5H2,1-4H3
InChIKeyNRPPLAOAUDBBAL-UHFFFAOYSA-N
XLogP4.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone?
The IUPAC name of (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone (CID 166633998) is (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone is CCc1c(OC)cc(C(=O)c2cccc(-c3ccc(C)c(O)c3)n2)cc1OC.
What is the InChIKey of (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone?
The InChIKey is NRPPLAOAUDBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-5-17-21(27-3)12-16(13-22(17)28-4)23(26)19-8-6-7-18(24-19)15-10-9-14(2)20(25)11-15/h6-13,25H,5H2,1-4H3.
What are the key properties of (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone?
(4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone has a molecular weight of 377.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,5-dimethoxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 166633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).