4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one

C14H11ClO3 — CID 115010227

IUPAC4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one
SMILESCC(=O)CCc1c2ccoc2c(Cl)c2ccoc12
InChIInChI=1S/C14H11ClO3/c1-8(16)2-3-9-10-4-6-18-14(10)12(15)11-5-7-17-13(9)11/h4-7H,2-3H2,1H3
InChIKeyWVUPCUYFYWHDNC-UHFFFAOYSA-N
MW262.69 g/mol
LogP4.35
Rot. Bonds3

About 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one

4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one (PubChem CID 115010227) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one
PubChem CID115010227
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one
SMILESCC(=O)CCc1c2ccoc2c(Cl)c2ccoc12
InChIInChI=1S/C14H11ClO3/c1-8(16)2-3-9-10-4-6-18-14(10)12(15)11-5-7-17-13(9)11/h4-7H,2-3H2,1H3
InChIKeyWVUPCUYFYWHDNC-UHFFFAOYSA-N
XLogP4.35
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one?
The IUPAC name of 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one (CID 115010227) is 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one.
What is the SMILES notation for 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one?
The canonical SMILES for 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one is CC(=O)CCc1c2ccoc2c(Cl)c2ccoc12.
What is the InChIKey of 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one?
The InChIKey is WVUPCUYFYWHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-8(16)2-3-9-10-4-6-18-14(10)12(15)11-5-7-17-13(9)11/h4-7H,2-3H2,1H3.
What are the key properties of 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one?
4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one has a molecular weight of 262.69 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)butan-2-one is sourced from PubChem (CID 115010227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).