[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate

C20H14O6 — CID 129168976

IUPAC[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(-c3cc(OC(C)=O)c4ccoc4c3)coc2c1
InChIInChI=1S/C20H14O6/c1-11(21)25-14-3-4-15-17(10-24-19(15)9-14)13-7-18-16(5-6-23-18)20(8-13)26-12(2)22/h3-10H,1-2H3
InChIKeyQARICTIGSJXZRI-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.70
Rot. Bonds3

About [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate

[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate (PubChem CID 129168976) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate.

Molecular Properties

Compound Name[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate
PubChem CID129168976
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(-c3cc(OC(C)=O)c4ccoc4c3)coc2c1
InChIInChI=1S/C20H14O6/c1-11(21)25-14-3-4-15-17(10-24-19(15)9-14)13-7-18-16(5-6-23-18)20(8-13)26-12(2)22/h3-10H,1-2H3
InChIKeyQARICTIGSJXZRI-UHFFFAOYSA-N
XLogP4.70
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
(4-oxochromen-7-yl) acetate
CID 20979816
[3-(chloromethyl)-1-benzofuran-6-yl] acetate
CID 59577463
(4-oxochromen-6-yl) acetate
CID 119082318
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533
1-benzofuran-3-yl acetate
CID 2769621
(6,8-diacetyloxy-9-oxoxanthen-3-yl) acetate
CID 70687596
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
2,7-dichloro-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene;(4-oxo-3-phenylchromen-7-yl) acetate
CID 175439695
(4-oxochromen-7-yl) 2,2-dimethylpropanoate
CID 135075316
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628

Frequently Asked Questions

What is the IUPAC name of [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate?
The IUPAC name of [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate (CID 129168976) is [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate.
What is the SMILES notation for [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate?
The canonical SMILES for [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate is CC(=O)Oc1ccc2c(-c3cc(OC(C)=O)c4ccoc4c3)coc2c1.
What is the InChIKey of [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate?
The InChIKey is QARICTIGSJXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-11(21)25-14-3-4-15-17(10-24-19(15)9-14)13-7-18-16(5-6-23-18)20(8-13)26-12(2)22/h3-10H,1-2H3.
What are the key properties of [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate?
[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate has a molecular weight of 350.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate is sourced from PubChem (CID 129168976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).