3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one

C15H14O3 — CID 65444924

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccoc1
InChIInChI=1S/C15H14O3/c16-14(13-5-7-17-10-13)3-1-11-2-4-15-12(9-11)6-8-18-15/h2,4-5,7,9-10H,1,3,6,8H2
InChIKeyYLSXCUFLUZGMIA-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.03
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one (PubChem CID 65444924) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
PubChem CID65444924
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccoc1
InChIInChI=1S/C15H14O3/c16-14(13-5-7-17-10-13)3-1-11-2-4-15-12(9-11)6-8-18-15/h2,4-5,7,9-10H,1,3,6,8H2
InChIKeyYLSXCUFLUZGMIA-UHFFFAOYSA-N
XLogP3.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one (CID 65444924) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one is O=C(CCc1ccc2c(c1)CCO2)c1ccoc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one?
The InChIKey is YLSXCUFLUZGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14(13-5-7-17-10-13)3-1-11-2-4-15-12(9-11)6-8-18-15/h2,4-5,7,9-10H,1,3,6,8H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one has a molecular weight of 242.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one is sourced from PubChem (CID 65444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).