2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone

C17H18O3 — CID 115798762

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CCOc3ccccc32)o1
InChIInChI=1S/C17H18O3/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12H,2,9-11H2,1H3
InChIKeyWCQIPPTYZARSCA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.98
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone (PubChem CID 115798762) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
PubChem CID115798762
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
SMILESCCc1ccc(C(=O)CC2CCOc3ccccc32)o1
InChIInChI=1S/C17H18O3/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12H,2,9-11H2,1H3
InChIKeyWCQIPPTYZARSCA-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
CID 115798919
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone (CID 115798762) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone is CCc1ccc(C(=O)CC2CCOc3ccccc32)o1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone?
The InChIKey is WCQIPPTYZARSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-13-7-8-17(20-13)15(18)11-12-9-10-19-16-6-4-3-5-14(12)16/h3-8,12H,2,9-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone is sourced from PubChem (CID 115798762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).