[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate

C19H16O6 — CID 867287

IUPAC[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate
SMILESCOc1ccc(OC)c(C(=O)c2coc3ccc(OC(C)=O)cc23)c1
InChIInChI=1S/C19H16O6/c1-11(20)25-13-5-7-18-14(9-13)16(10-24-18)19(21)15-8-12(22-2)4-6-17(15)23-3/h4-10H,1-3H3
InChIKeyPVFLFOWMYQUVLK-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.61
Rot. Bonds5

About [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate

[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate (PubChem CID 867287) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate.

Molecular Properties

Compound Name[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate
PubChem CID867287
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate
SMILESCOc1ccc(OC)c(C(=O)c2coc3ccc(OC(C)=O)cc23)c1
InChIInChI=1S/C19H16O6/c1-11(20)25-13-5-7-18-14(9-13)16(10-24-18)19(21)15-8-12(22-2)4-6-17(15)23-3/h4-10H,1-3H3
InChIKeyPVFLFOWMYQUVLK-UHFFFAOYSA-N
XLogP3.61
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate?
The IUPAC name of [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate (CID 867287) is [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate.
What is the SMILES notation for [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate?
The canonical SMILES for [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate is COc1ccc(OC)c(C(=O)c2coc3ccc(OC(C)=O)cc23)c1.
What is the InChIKey of [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate?
The InChIKey is PVFLFOWMYQUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-11(20)25-13-5-7-18-14(9-13)16(10-24-18)19(21)15-8-12(22-2)4-6-17(15)23-3/h4-10H,1-3H3.
What are the key properties of [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate?
[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate has a molecular weight of 340.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl] acetate is sourced from PubChem (CID 867287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).