4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

C17H16O3 — CID 744013

IUPAC4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCC(=O)CCc1oc2ccccc2c1-c1ccc(C)o1
InChIInChI=1S/C17H16O3/c1-11(18)7-9-16-17(15-10-8-12(2)19-15)13-5-3-4-6-14(13)20-16/h3-6,8,10H,7,9H2,1-2H3
InChIKeyUVOQXMVMZINGTM-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.52
Rot. Bonds4

About 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (PubChem CID 744013) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
PubChem CID744013
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCC(=O)CCc1oc2ccccc2c1-c1ccc(C)o1
InChIInChI=1S/C17H16O3/c1-11(18)7-9-16-17(15-10-8-12(2)19-15)13-5-3-4-6-14(13)20-16/h3-6,8,10H,7,9H2,1-2H3
InChIKeyUVOQXMVMZINGTM-UHFFFAOYSA-N
XLogP4.52
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The IUPAC name of 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (CID 744013) is 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.
What is the SMILES notation for 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The canonical SMILES for 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is CC(=O)CCc1oc2ccccc2c1-c1ccc(C)o1.
What is the InChIKey of 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The InChIKey is UVOQXMVMZINGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11(18)7-9-16-17(15-10-8-12(2)19-15)13-5-3-4-6-14(13)20-16/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one has a molecular weight of 268.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is sourced from PubChem (CID 744013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).