3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran

C33H30O6 — CID 56958134

IUPAC3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
SMILESCOc1ccc(/C=C/c2cc(OC)c3c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)oc3c2)cc1
InChIInChI=1S/C33H30O6/c1-34-25-12-8-21(9-13-25)6-7-22-16-29(38-5)32-30(17-22)39-33(23-10-14-26(35-2)15-11-23)31(32)24-18-27(36-3)20-28(19-24)37-4/h6-20H,1-5H3/b7-6+
InChIKeyLHSWMJRERCDORI-VOTSOKGWSA-N
MW522.60 g/mol
LogP7.98
Rot. Bonds9

About 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran

3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran (PubChem CID 56958134) has the molecular formula C33H30O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
PubChem CID56958134
Molecular FormulaC33H30O6
Molecular Weight522.60 g/mol
Exact Mass522.20
IUPAC Name3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
SMILESCOc1ccc(/C=C/c2cc(OC)c3c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)oc3c2)cc1
InChIInChI=1S/C33H30O6/c1-34-25-12-8-21(9-13-25)6-7-22-16-29(38-5)32-30(17-22)39-33(23-10-14-26(35-2)15-11-23)31(32)24-18-27(36-3)20-28(19-24)37-4/h6-20H,1-5H3/b7-6+
InChIKeyLHSWMJRERCDORI-VOTSOKGWSA-N
XLogP7.98
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran (CID 56958134) is 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran is COc1ccc(/C=C/c2cc(OC)c3c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)oc3c2)cc1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
The InChIKey is LHSWMJRERCDORI-VOTSOKGWSA-N. The full InChI is InChI=1S/C33H30O6/c1-34-25-12-8-21(9-13-25)6-7-22-16-29(38-5)32-30(17-22)39-33(23-10-14-26(35-2)15-11-23)31(32)24-18-27(36-3)20-28(19-24)37-4/h6-20H,1-5H3/b7-6+.
What are the key properties of 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran?
3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran has a molecular weight of 522.60 g/mol, XLogP of 7.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-4-methoxy-2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran is sourced from PubChem (CID 56958134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).