1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene

C25H26O4 — CID 175647423

IUPAC1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(/C=C/c3cccc(OC)c3)cc(OC)cc2OC)cc1
InChIInChI=1S/C25H26O4/c1-26-21-12-9-19(10-13-21)15-24-20(16-23(28-3)17-25(24)29-4)11-8-18-6-5-7-22(14-18)27-2/h5-14,16-17H,15H2,1-4H3/b11-8+
InChIKeyFQYRJIIOFHUEFB-DHZHZOJOSA-N
MW390.48 g/mol
LogP5.48
Rot. Bonds8

About 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene

1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene (PubChem CID 175647423) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
PubChem CID175647423
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(/C=C/c3cccc(OC)c3)cc(OC)cc2OC)cc1
InChIInChI=1S/C25H26O4/c1-26-21-12-9-19(10-13-21)15-24-20(16-23(28-3)17-25(24)29-4)11-8-18-6-5-7-22(14-18)27-2/h5-14,16-17H,15H2,1-4H3/b11-8+
InChIKeyFQYRJIIOFHUEFB-DHZHZOJOSA-N
XLogP5.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
CID 175647412
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene (CID 175647423) is 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2c(/C=C/c3cccc(OC)c3)cc(OC)cc2OC)cc1.
What is the InChIKey of 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is FQYRJIIOFHUEFB-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H26O4/c1-26-21-12-9-19(10-13-21)15-24-20(16-23(28-3)17-25(24)29-4)11-8-18-6-5-7-22(14-18)27-2/h5-14,16-17H,15H2,1-4H3/b11-8+.
What are the key properties of 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene?
1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 390.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 175647423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).