1-benzofuran-3-yl acetate

C10H8O3 — CID 2769621

IUPAC1-benzofuran-3-yl acetate
SMILESCC(=O)Oc1coc2ccccc12
InChIInChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyXCBLZAJCKKRBED-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.36
Rot. Bonds1

About 1-benzofuran-3-yl acetate

1-benzofuran-3-yl acetate (PubChem CID 2769621) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-benzofuran-3-yl acetate.

Molecular Properties

Compound Name1-benzofuran-3-yl acetate
PubChem CID2769621
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name1-benzofuran-3-yl acetate
SMILESCC(=O)Oc1coc2ccccc12
InChIInChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyXCBLZAJCKKRBED-UHFFFAOYSA-N
XLogP2.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
(5-iodo-1-benzofuran-3-yl) acetate
CID 13013050
dibenzofuran-1-yl acetate
CID 14227245
acetyl 2-(1-benzofuran-3-yl)acetate
CID 175154988
triphenylen-1-yl acetate
CID 87276472
(2-oxochromen-5-yl) acetate
CID 12853206
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
(4-oxochromen-2-yl) acetate
CID 119083337
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
(4-formylnaphthalen-1-yl) acetate
CID 15584813

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl acetate?
The IUPAC name of 1-benzofuran-3-yl acetate (CID 2769621) is 1-benzofuran-3-yl acetate.
What is the SMILES notation for 1-benzofuran-3-yl acetate?
The canonical SMILES for 1-benzofuran-3-yl acetate is CC(=O)Oc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl acetate?
The InChIKey is XCBLZAJCKKRBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3.
What are the key properties of 1-benzofuran-3-yl acetate?
1-benzofuran-3-yl acetate has a molecular weight of 176.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl acetate is sourced from PubChem (CID 2769621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).