3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione

C19H20O6 — CID 606893

IUPAC3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
SMILESCOc1ccc(CC(=O)C(=O)c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C19H20O6/c1-22-13-7-5-12(6-8-13)9-15(20)19(21)18-16(24-3)10-14(23-2)11-17(18)25-4/h5-8,10-11H,9H2,1-4H3
InChIKeyJVIVWNFJGFJRHH-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.72
Rot. Bonds8

About 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione

3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione (PubChem CID 606893) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
PubChem CID606893
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
SMILESCOc1ccc(CC(=O)C(=O)c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C19H20O6/c1-22-13-7-5-12(6-8-13)9-15(20)19(21)18-16(24-3)10-14(23-2)11-17(18)25-4/h5-8,10-11H,9H2,1-4H3
InChIKeyJVIVWNFJGFJRHH-UHFFFAOYSA-N
XLogP2.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-O-[3,5-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]phenyl] 1-O-methyl nonanedioate
CID 15840218
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate
CID 21410784
1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
CID 606999
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426379
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 172869661
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
CID 19744869
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione (CID 606893) is 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione is COc1ccc(CC(=O)C(=O)c2c(OC)cc(OC)cc2OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione?
The InChIKey is JVIVWNFJGFJRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-13-7-5-12(6-8-13)9-15(20)19(21)18-16(24-3)10-14(23-2)11-17(18)25-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione?
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione has a molecular weight of 344.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione is sourced from PubChem (CID 606893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).