1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione

C26H26O6 — CID 172869342

IUPAC1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
SMILESCOc1ccc(CCc2cc(OC)cc(C(=O)C(=O)c3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H26O6/c1-29-21-10-7-17(8-11-21)5-6-18-13-20(15-22(14-18)30-2)26(28)25(27)19-9-12-23(31-3)24(16-19)32-4/h7-16H,5-6H2,1-4H3
InChIKeyVPBJGWMPZXLJLB-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.57
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione

1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione (PubChem CID 172869342) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
PubChem CID172869342
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
SMILESCOc1ccc(CCc2cc(OC)cc(C(=O)C(=O)c3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H26O6/c1-29-21-10-7-17(8-11-21)5-6-18-13-20(15-22(14-18)30-2)26(28)25(27)19-9-12-23(31-3)24(16-19)32-4/h7-16H,5-6H2,1-4H3
InChIKeyVPBJGWMPZXLJLB-UHFFFAOYSA-N
XLogP4.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.57
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 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-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

methyl 4-[2-[3-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869618
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 172869661
1-(3,5-dimethoxyphenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxyphenyl]ethane-1,2-dione
CID 172869648
1-(3,5-dimethoxyphenyl)-2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-4,5-dimethoxyphenyl]ethane-1,2-dione
CID 172869642
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
CID 172869663
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione (CID 172869342) is 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione is COc1ccc(CCc2cc(OC)cc(C(=O)C(=O)c3ccc(OC)c(OC)c3)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione?
The InChIKey is VPBJGWMPZXLJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-29-21-10-7-17(8-11-21)5-6-18-13-20(15-22(14-18)30-2)26(28)25(27)19-9-12-23(31-3)24(16-19)32-4/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione?
1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione has a molecular weight of 434.49 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione is sourced from PubChem (CID 172869342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).