3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran

C25H22O4 — CID 163088099

IUPAC3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(OCC=Cc4ccccc4)cc23)cc1OC
InChIInChI=1S/C25H22O4/c1-26-24-12-10-19(15-25(24)27-2)22-17-29-23-13-11-20(16-21(22)23)28-14-6-9-18-7-4-3-5-8-18/h3-13,15-17H,14H2,1-2H3
InChIKeyDGHLVTMIRJDYKZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.21
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran

3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran (PubChem CID 163088099) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran
PubChem CID163088099
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(OCC=Cc4ccccc4)cc23)cc1OC
InChIInChI=1S/C25H22O4/c1-26-24-12-10-19(15-25(24)27-2)22-17-29-23-13-11-20(16-21(22)23)28-14-6-9-18-7-4-3-5-8-18/h3-13,15-17H,14H2,1-2H3
InChIKeyDGHLVTMIRJDYKZ-UHFFFAOYSA-N
XLogP6.21
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran (CID 163088099) is 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran is COc1ccc(-c2coc3ccc(OCC=Cc4ccccc4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran?
The InChIKey is DGHLVTMIRJDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-26-24-12-10-19(15-25(24)27-2)22-17-29-23-13-11-20(16-21(22)23)28-14-6-9-18-7-4-3-5-8-18/h3-13,15-17H,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran?
3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran has a molecular weight of 386.45 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran is sourced from PubChem (CID 163088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).