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

C17H24O2 — CID 114963747

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24O2/c1-3-5-6-13(4-2)11-16(18)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyLWGWZRVTMSBSQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.41
Rot. Bonds7

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

1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one (PubChem CID 114963747) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
PubChem CID114963747
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24O2/c1-3-5-6-13(4-2)11-16(18)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyLWGWZRVTMSBSQC-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61444799
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
1-(4-amino-3-methylphenyl)-3-ethylheptan-1-one
CID 116553874
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylhexyl)-4-oxobutanamide
CID 112759477

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one (CID 114963747) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one is CCCCC(CC)CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one?
The InChIKey is LWGWZRVTMSBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-6-13(4-2)11-16(18)14-7-8-17-15(12-14)9-10-19-17/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one is sourced from PubChem (CID 114963747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).