6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one

C21H20O5 — CID 164684649

IUPAC6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
SMILESCOc1ccc(-c2cc(C)c(=O)oc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H20O5/c1-13-11-17(14-5-8-16(23-2)9-6-14)20(26-21(13)22)15-7-10-18(24-3)19(12-15)25-4/h5-12H,1-4H3
InChIKeyMBMXGLKJJPBSGC-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.31
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one

6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one (PubChem CID 164684649) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
PubChem CID164684649
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
SMILESCOc1ccc(-c2cc(C)c(=O)oc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H20O5/c1-13-11-17(14-5-8-16(23-2)9-6-14)20(26-21(13)22)15-7-10-18(24-3)19(12-15)25-4/h5-12H,1-4H3
InChIKeyMBMXGLKJJPBSGC-UHFFFAOYSA-N
XLogP4.31
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one (CID 164684649) is 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one is COc1ccc(-c2cc(C)c(=O)oc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one?
The InChIKey is MBMXGLKJJPBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-13-11-17(14-5-8-16(23-2)9-6-14)20(26-21(13)22)15-7-10-18(24-3)19(12-15)25-4/h5-12H,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one?
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one has a molecular weight of 352.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one is sourced from PubChem (CID 164684649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).