1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene

C30H28O4 — CID 24797

IUPAC1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28O4/c1-31-25-13-5-21(6-14-25)29(22-7-15-26(32-2)16-8-22)30(23-9-17-27(33-3)18-10-23)24-11-19-28(34-4)20-12-24/h5-20H,1-4H3
InChIKeyLXYBRRVOIQFRRL-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.73
Rot. Bonds8

About 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene

1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene (PubChem CID 24797) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene
PubChem CID24797
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28O4/c1-31-25-13-5-21(6-14-25)29(22-7-15-26(32-2)16-8-22)30(23-9-17-27(33-3)18-10-23)24-11-19-28(34-4)20-12-24/h5-20H,1-4H3
InChIKeyLXYBRRVOIQFRRL-UHFFFAOYSA-N
XLogP6.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene (CID 24797) is 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene is COc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is LXYBRRVOIQFRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O4/c1-31-25-13-5-21(6-14-25)29(22-7-15-26(32-2)16-8-22)30(23-9-17-27(33-3)18-10-23)24-11-19-28(34-4)20-12-24/h5-20H,1-4H3.
What are the key properties of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene?
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 452.55 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 24797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).