(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone

C20H17NO3 — CID 1482197

IUPAC(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(-c3ccc(OC)cc3)nc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-17-8-3-14(4-9-17)19-12-7-16(13-21-19)20(22)15-5-10-18(24-2)11-6-15/h3-13H,1-2H3
InChIKeyVXYUNQNOZBKNKO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.00
Rot. Bonds5

About (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone

(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone (PubChem CID 1482197) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone
PubChem CID1482197
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(-c3ccc(OC)cc3)nc2)cc1
InChIInChI=1S/C20H17NO3/c1-23-17-8-3-14(4-9-17)19-12-7-16(13-21-19)20(22)15-5-10-18(24-2)11-6-15/h3-13H,1-2H3
InChIKeyVXYUNQNOZBKNKO-UHFFFAOYSA-N
XLogP4.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone (CID 1482197) is (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone is COc1ccc(C(=O)c2ccc(-c3ccc(OC)cc3)nc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The InChIKey is VXYUNQNOZBKNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-17-8-3-14(4-9-17)19-12-7-16(13-21-19)20(22)15-5-10-18(24-2)11-6-15/h3-13H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone?
(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone has a molecular weight of 319.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 1482197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).