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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Related Compounds

3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
CID 45118060
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
[3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] methanesulfonate
CID 7198451
5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135976629
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
CID 13330270
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
CID 101459550

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).