(3-acetyloxy-1-benzofuran-6-yl) acetate

C12H10O5 — CID 3787261

IUPAC(3-acetyloxy-1-benzofuran-6-yl) acetate
SMILESCC(=O)Oc1ccc2c(OC(C)=O)coc2c1
InChIInChI=1S/C12H10O5/c1-7(13)16-9-3-4-10-11(5-9)15-6-12(10)17-8(2)14/h3-6H,1-2H3
InChIKeyBFMFMWYEEGVQSB-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.28
Rot. Bonds2

About (3-acetyloxy-1-benzofuran-6-yl) acetate

(3-acetyloxy-1-benzofuran-6-yl) acetate (PubChem CID 3787261) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is (3-acetyloxy-1-benzofuran-6-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-1-benzofuran-6-yl) acetate
PubChem CID3787261
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name(3-acetyloxy-1-benzofuran-6-yl) acetate
SMILESCC(=O)Oc1ccc2c(OC(C)=O)coc2c1
InChIInChI=1S/C12H10O5/c1-7(13)16-9-3-4-10-11(5-9)15-6-12(10)17-8(2)14/h3-6H,1-2H3
InChIKeyBFMFMWYEEGVQSB-UHFFFAOYSA-N
XLogP2.28
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.28
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

[3-(4-acetyloxy-1-benzofuran-6-yl)-1-benzofuran-6-yl] acetate
CID 129168976
[3-(chloromethyl)-1-benzofuran-6-yl] acetate
CID 59577463
1-benzofuran-3-yl acetate
CID 2769621
(4-oxochromen-7-yl) acetate
CID 20979816
(5-iodo-1-benzofuran-3-yl) acetate
CID 13013050
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
(6,8-diacetyloxy-9-oxoxanthen-3-yl) acetate
CID 70687596
(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate
CID 121010304
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-1-benzofuran-6-yl) acetate?
The IUPAC name of (3-acetyloxy-1-benzofuran-6-yl) acetate (CID 3787261) is (3-acetyloxy-1-benzofuran-6-yl) acetate.
What is the SMILES notation for (3-acetyloxy-1-benzofuran-6-yl) acetate?
The canonical SMILES for (3-acetyloxy-1-benzofuran-6-yl) acetate is CC(=O)Oc1ccc2c(OC(C)=O)coc2c1.
What is the InChIKey of (3-acetyloxy-1-benzofuran-6-yl) acetate?
The InChIKey is BFMFMWYEEGVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-7(13)16-9-3-4-10-11(5-9)15-6-12(10)17-8(2)14/h3-6H,1-2H3.
What are the key properties of (3-acetyloxy-1-benzofuran-6-yl) acetate?
(3-acetyloxy-1-benzofuran-6-yl) acetate has a molecular weight of 234.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-1-benzofuran-6-yl) acetate is sourced from PubChem (CID 3787261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).