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

C16H16O3 — CID 63710274

IUPAC3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CCOc3ccccc32)o1
InChIInChI=1S/C16H16O3/c1-2-11-7-8-15(19-11)16(17)13-9-10-18-14-6-4-3-5-12(13)14/h3-8,13H,2,9-10H2,1H3
InChIKeyKYZVWGIVKDBQSS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.59
Rot. Bonds3

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

3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone (PubChem CID 63710274) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
PubChem CID63710274
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CCOc3ccccc32)o1
InChIInChI=1S/C16H16O3/c1-2-11-7-8-15(19-11)16(17)13-9-10-18-14-6-4-3-5-12(13)14/h3-8,13H,2,9-10H2,1H3
InChIKeyKYZVWGIVKDBQSS-UHFFFAOYSA-N
XLogP3.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 115798762
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
2,3-dihydro-1-benzofuran-2-yl-(5-ethylfuran-2-yl)methanone
CID 62345139
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone
CID 65408926
3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone (CID 63710274) is 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)C2CCOc3ccccc32)o1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone?
The InChIKey is KYZVWGIVKDBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-11-7-8-15(19-11)16(17)13-9-10-18-14-6-4-3-5-12(13)14/h3-8,13H,2,9-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone has a molecular weight of 256.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 63710274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).