5-chloro-2-propylbenzo[g][1]benzofuran-3-one

C15H13ClO2 — CID 83049105

IUPAC5-chloro-2-propylbenzo[g][1]benzofuran-3-one
SMILESCCCC1Oc2c(cc(Cl)c3ccccc23)C1=O
InChIInChI=1S/C15H13ClO2/c1-2-5-13-14(17)11-8-12(16)9-6-3-4-7-10(9)15(11)18-13/h3-4,6-8,13H,2,5H2,1H3
InChIKeyZRKXYCRSVLHCKQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.24
Rot. Bonds2

About 5-chloro-2-propylbenzo[g][1]benzofuran-3-one

5-chloro-2-propylbenzo[g][1]benzofuran-3-one (PubChem CID 83049105) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 5-chloro-2-propylbenzo[g][1]benzofuran-3-one.

Molecular Properties

Compound Name5-chloro-2-propylbenzo[g][1]benzofuran-3-one
PubChem CID83049105
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name5-chloro-2-propylbenzo[g][1]benzofuran-3-one
SMILESCCCC1Oc2c(cc(Cl)c3ccccc23)C1=O
InChIInChI=1S/C15H13ClO2/c1-2-5-13-14(17)11-8-12(16)9-6-3-4-7-10(9)15(11)18-13/h3-4,6-8,13H,2,5H2,1H3
InChIKeyZRKXYCRSVLHCKQ-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propylbenzo[g][1]benzofuran-3-one?
The IUPAC name of 5-chloro-2-propylbenzo[g][1]benzofuran-3-one (CID 83049105) is 5-chloro-2-propylbenzo[g][1]benzofuran-3-one.
What is the SMILES notation for 5-chloro-2-propylbenzo[g][1]benzofuran-3-one?
The canonical SMILES for 5-chloro-2-propylbenzo[g][1]benzofuran-3-one is CCCC1Oc2c(cc(Cl)c3ccccc23)C1=O.
What is the InChIKey of 5-chloro-2-propylbenzo[g][1]benzofuran-3-one?
The InChIKey is ZRKXYCRSVLHCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-5-13-14(17)11-8-12(16)9-6-3-4-7-10(9)15(11)18-13/h3-4,6-8,13H,2,5H2,1H3.
What are the key properties of 5-chloro-2-propylbenzo[g][1]benzofuran-3-one?
5-chloro-2-propylbenzo[g][1]benzofuran-3-one has a molecular weight of 260.72 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propylbenzo[g][1]benzofuran-3-one is sourced from PubChem (CID 83049105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).