1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone

C14H11ClO3 — CID 115010381

IUPAC1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCC(=O)c1c2cc(C)oc2c(Cl)c2cc(C)oc12
InChIInChI=1S/C14H11ClO3/c1-6-4-9-11(8(3)16)13-10(5-7(2)17-13)12(15)14(9)18-6/h4-5H,1-3H3
InChIKeyAMGWKJSTYQYDON-UHFFFAOYSA-N
MW262.69 g/mol
LogP4.65
Rot. Bonds1

About 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone

1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone (PubChem CID 115010381) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone
PubChem CID115010381
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESCC(=O)c1c2cc(C)oc2c(Cl)c2cc(C)oc12
InChIInChI=1S/C14H11ClO3/c1-6-4-9-11(8(3)16)13-10(5-7(2)17-13)12(15)14(9)18-6/h4-5H,1-3H3
InChIKeyAMGWKJSTYQYDON-UHFFFAOYSA-N
XLogP4.65
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The IUPAC name of 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone (CID 115010381) is 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone is CC(=O)c1c2cc(C)oc2c(Cl)c2cc(C)oc12.
What is the InChIKey of 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone?
The InChIKey is AMGWKJSTYQYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-6-4-9-11(8(3)16)13-10(5-7(2)17-13)12(15)14(9)18-6/h4-5H,1-3H3.
What are the key properties of 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone?
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone has a molecular weight of 262.69 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone is sourced from PubChem (CID 115010381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).