3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one

C21H26O7 — CID 10249801

IUPAC3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(C(=O)c2c(OC)cc(OC)cc2OC)C(OC)OC)cc1
InChIInChI=1S/C21H26O7/c1-23-14-9-7-13(8-10-14)18(21(27-5)28-6)20(22)19-16(25-3)11-15(24-2)12-17(19)26-4/h7-12,18,21H,1-6H3
InChIKeyAZHMLLCRFFOIPD-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.31
Rot. Bonds10

About 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one

3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one (PubChem CID 10249801) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
PubChem CID10249801
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(C(=O)c2c(OC)cc(OC)cc2OC)C(OC)OC)cc1
InChIInChI=1S/C21H26O7/c1-23-14-9-7-13(8-10-14)18(21(27-5)28-6)20(22)19-16(25-3)11-15(24-2)12-17(19)26-4/h7-12,18,21H,1-6H3
InChIKeyAZHMLLCRFFOIPD-UHFFFAOYSA-N
XLogP3.31
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one 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

2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)-3,3-dimethoxypropan-1-one
CID 10525498
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
1-[2,3-dimethoxy-4,6-bis(phenylmethoxy)phenyl]-2-(2,4-dimethoxyphenyl)-3,3-dimethoxypropan-1-one
CID 10531674
[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate
CID 70287614
(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
CID 11424975
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one?
The IUPAC name of 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one (CID 10249801) is 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one is COc1ccc(C(C(=O)c2c(OC)cc(OC)cc2OC)C(OC)OC)cc1.
What is the InChIKey of 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one?
The InChIKey is AZHMLLCRFFOIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O7/c1-23-14-9-7-13(8-10-14)18(21(27-5)28-6)20(22)19-16(25-3)11-15(24-2)12-17(19)26-4/h7-12,18,21H,1-6H3.
What are the key properties of 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one?
3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one has a molecular weight of 390.43 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 10249801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).