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

C19H18O4 — CID 24946681

IUPAC2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
SMILESC=CCOc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C19H18O4/c1-4-9-22-15-6-8-16-14(10-15)12-18(23-16)13-5-7-17(20-2)19(11-13)21-3/h4-8,10-12H,1,9H2,2-3H3
InChIKeyWMEQGFKGNQVOCV-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.68
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran (PubChem CID 24946681) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
PubChem CID24946681
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
SMILESC=CCOc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C19H18O4/c1-4-9-22-15-6-8-16-14(10-15)12-18(23-16)13-5-7-17(20-2)19(11-13)21-3/h4-8,10-12H,1,9H2,2-3H3
InChIKeyWMEQGFKGNQVOCV-UHFFFAOYSA-N
XLogP4.68
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran (CID 24946681) is 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran is C=CCOc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran?
The InChIKey is WMEQGFKGNQVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-9-22-15-6-8-16-14(10-15)12-18(23-16)13-5-7-17(20-2)19(11-13)21-3/h4-8,10-12H,1,9H2,2-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran?
2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran has a molecular weight of 310.35 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran is sourced from PubChem (CID 24946681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).