1-(3-methoxyfuran-2-yl)ethanone

C7H8O3 — CID 23271201

IUPAC1-(3-methoxyfuran-2-yl)ethanone
SMILESCOc1ccoc1C(C)=O
InChIInChI=1S/C7H8O3/c1-5(8)7-6(9-2)3-4-10-7/h3-4H,1-2H3
InChIKeyBPKABICDFNDFMV-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.49
Rot. Bonds2

About 1-(3-methoxyfuran-2-yl)ethanone

1-(3-methoxyfuran-2-yl)ethanone (PubChem CID 23271201) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(3-methoxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxyfuran-2-yl)ethanone
PubChem CID23271201
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name1-(3-methoxyfuran-2-yl)ethanone
SMILESCOc1ccoc1C(C)=O
InChIInChI=1S/C7H8O3/c1-5(8)7-6(9-2)3-4-10-7/h3-4H,1-2H3
InChIKeyBPKABICDFNDFMV-UHFFFAOYSA-N
XLogP1.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyfuran-2-yl)ethanone?
The IUPAC name of 1-(3-methoxyfuran-2-yl)ethanone (CID 23271201) is 1-(3-methoxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-methoxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(3-methoxyfuran-2-yl)ethanone is COc1ccoc1C(C)=O.
What is the InChIKey of 1-(3-methoxyfuran-2-yl)ethanone?
The InChIKey is BPKABICDFNDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(8)7-6(9-2)3-4-10-7/h3-4H,1-2H3.
What are the key properties of 1-(3-methoxyfuran-2-yl)ethanone?
1-(3-methoxyfuran-2-yl)ethanone has a molecular weight of 140.14 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyfuran-2-yl)ethanone is sourced from PubChem (CID 23271201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).