1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione

C26H26O6 — CID 172869663

IUPAC1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26O6/c1-29-20-11-6-17(7-12-20)5-8-19-15-23(31-3)24(32-4)16-22(19)26(28)25(27)18-9-13-21(30-2)14-10-18/h6-7,9-16H,5,8H2,1-4H3
InChIKeyQGVKBGGTIGDTPT-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.57
Rot. Bonds10

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

1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione (PubChem CID 172869663) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
PubChem CID172869663
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26O6/c1-29-20-11-6-17(7-12-20)5-8-19-15-23(31-3)24(32-4)16-22(19)26(28)25(27)18-9-13-21(30-2)14-10-18/h6-7,9-16H,5,8H2,1-4H3
InChIKeyQGVKBGGTIGDTPT-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'}

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Related Compounds

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-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
CID 172869342
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871453

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione (CID 172869663) is 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione is COc1ccc(CCc2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione?
The InChIKey is QGVKBGGTIGDTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-29-20-11-6-17(7-12-20)5-8-19-15-23(31-3)24(32-4)16-22(19)26(28)25(27)18-9-13-21(30-2)14-10-18/h6-7,9-16H,5,8H2,1-4H3.
What are the key properties of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione?
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)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-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 172869663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).