1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone

C16H19ClO3 — CID 103162590

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C16H19ClO3/c1-2-19-13-5-10(6-13)7-15(18)14-9-12(17)8-11-3-4-20-16(11)14/h8-10,13H,2-7H2,1H3
InChIKeyQQVOHESCNIJUQQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103162590) has the molecular formula C16H19ClO3 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103162590
Molecular FormulaC16H19ClO3
Molecular Weight294.78 g/mol
Exact Mass294.10
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C16H19ClO3/c1-2-19-13-5-10(6-13)7-15(18)14-9-12(17)8-11-3-4-20-16(11)14/h8-10,13H,2-7H2,1H3
InChIKeyQQVOHESCNIJUQQ-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
2-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethoxy]acetic acid
CID 104545039
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylphenyl)ethanone
CID 104544807
N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167789826
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-methoxyphenyl)ethanone
CID 104544556
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine
CID 113403353
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-difluorophenyl)ethanone
CID 104544722
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103162590) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)c2cc(Cl)cc3c2OCC3)C1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is QQVOHESCNIJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO3/c1-2-19-13-5-10(6-13)7-15(18)14-9-12(17)8-11-3-4-20-16(11)14/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 294.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103162590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).