1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one

C15H12O3 — CID 105131499

IUPAC1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H12O3/c16-13(8-7-12-5-3-9-17-12)15-10-11-4-1-2-6-14(11)18-15/h1-6,9-10H,7-8H2
InChIKeyZISXQNADQKKQLO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.84
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one

1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one (PubChem CID 105131499) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
PubChem CID105131499
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C15H12O3/c16-13(8-7-12-5-3-9-17-12)15-10-11-4-1-2-6-14(11)18-15/h1-6,9-10H,7-8H2
InChIKeyZISXQNADQKKQLO-UHFFFAOYSA-N
XLogP3.84
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 17100606
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
S-[2-(furan-2-yl)ethyl] 2-oxochromene-3-carbothioate
CID 155544346
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one (CID 105131499) is 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one?
The InChIKey is ZISXQNADQKKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-13(8-7-12-5-3-9-17-12)15-10-11-4-1-2-6-14(11)18-15/h1-6,9-10H,7-8H2.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one?
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one has a molecular weight of 240.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105131499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).