4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one

C18H24O3 — CID 103167866

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
SMILESCCOC1CC(CC(=O)CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H24O3/c1-2-20-17-11-14(12-17)10-16(19)5-3-13-4-6-18-15(9-13)7-8-21-18/h4,6,9,14,17H,2-3,5,7-8,10-12H2,1H3
InChIKeyRANNPCFEBRCOIQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.33
Rot. Bonds7

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one (PubChem CID 103167866) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
PubChem CID103167866
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
SMILESCCOC1CC(CC(=O)CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H24O3/c1-2-20-17-11-14(12-17)10-16(19)5-3-13-4-6-18-15(9-13)7-8-21-18/h4,6,9,14,17H,2-3,5,7-8,10-12H2,1H3
InChIKeyRANNPCFEBRCOIQ-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 116593300
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
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
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one (CID 103167866) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one is CCOC1CC(CC(=O)CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one?
The InChIKey is RANNPCFEBRCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-20-17-11-14(12-17)10-16(19)5-3-13-4-6-18-15(9-13)7-8-21-18/h4,6,9,14,17H,2-3,5,7-8,10-12H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one is sourced from PubChem (CID 103167866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).