1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone

C14H10O3 — CID 115807026

IUPAC1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3o2)co1
InChIInChI=1S/C14H10O3/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyMKGLSSIQSRUVMO-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.57
Rot. Bonds2

About 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone

1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone (PubChem CID 115807026) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
PubChem CID115807026
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3o2)co1
InChIInChI=1S/C14H10O3/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyMKGLSSIQSRUVMO-UHFFFAOYSA-N
XLogP3.57
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-(1-benzofuran-2-yl)ethanone
CID 15435
(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone
CID 130495078
1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone
CID 3747512
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
(2R)-2-[3-(1-benzofuran-2-carbonyl)phenyl]propanamide
CID 11680880
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone (CID 115807026) is 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2cc3ccccc3o2)co1.
What is the InChIKey of 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone?
The InChIKey is MKGLSSIQSRUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3.
What are the key properties of 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone?
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone has a molecular weight of 226.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 115807026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).