1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate

C19H16O5 — CID 8766155

IUPAC1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)Oc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C19H16O5/c1-2-12-3-5-15-13(10-21-17(15)7-12)8-19(20)24-14-4-6-16-18(9-14)23-11-22-16/h3-7,9-10H,2,8,11H2,1H3
InChIKeyIMZZXKOXIDFGDO-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.87
Rot. Bonds4

About 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate

1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8766155) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8766155
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)Oc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C19H16O5/c1-2-12-3-5-15-13(10-21-17(15)7-12)8-19(20)24-14-4-6-16-18(9-14)23-11-22-16/h3-7,9-10H,2,8,11H2,1H3
InChIKeyIMZZXKOXIDFGDO-UHFFFAOYSA-N
XLogP3.87
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18116195
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
1,3-benzodioxol-5-yl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7741516
(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18860513
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901991
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]thiourea
CID 24637418
1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872561

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8766155) is 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)Oc3ccc4c(c3)OCO4)coc2c1.
What is the InChIKey of 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is IMZZXKOXIDFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-2-12-3-5-15-13(10-21-17(15)7-12)8-19(20)24-14-4-6-16-18(9-14)23-11-22-16/h3-7,9-10H,2,8,11H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 324.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8766155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).