1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone

C20H18O3 — CID 58047503

IUPAC1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(CCc3ccc4c(c3)CCO4)cc2o1
InChIInChI=1S/C20H18O3/c1-13(21)19-12-16-6-4-15(11-20(16)23-19)3-2-14-5-7-18-17(10-14)8-9-22-18/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyUADISDVEJTXOFB-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.36
Rot. Bonds4

About 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone

1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone (PubChem CID 58047503) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone
PubChem CID58047503
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(CCc3ccc4c(c3)CCO4)cc2o1
InChIInChI=1S/C20H18O3/c1-13(21)19-12-16-6-4-15(11-20(16)23-19)3-2-14-5-7-18-17(10-14)8-9-22-18/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyUADISDVEJTXOFB-UHFFFAOYSA-N
XLogP4.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214309
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone (CID 58047503) is 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2ccc(CCc3ccc4c(c3)CCO4)cc2o1.
What is the InChIKey of 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone?
The InChIKey is UADISDVEJTXOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13(21)19-12-16-6-4-15(11-20(16)23-19)3-2-14-5-7-18-17(10-14)8-9-22-18/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone?
1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone has a molecular weight of 306.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 58047503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).