2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione

C18H16O3 — CID 10858879

IUPAC2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2oc(CC3CCCC3)cc21
InChIInChI=1S/C18H16O3/c19-16-13-7-3-4-8-14(13)17(20)18-15(16)10-12(21-18)9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyGPHKPCOKMTWDBA-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.79
Rot. Bonds2

About 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione

2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione (PubChem CID 10858879) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione
PubChem CID10858879
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2oc(CC3CCCC3)cc21
InChIInChI=1S/C18H16O3/c19-16-13-7-3-4-8-14(13)17(20)18-15(16)10-12(21-18)9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyGPHKPCOKMTWDBA-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione (CID 10858879) is 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione is O=C1c2ccccc2C(=O)c2oc(CC3CCCC3)cc21.
What is the InChIKey of 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione?
The InChIKey is GPHKPCOKMTWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16-13-7-3-4-8-14(13)17(20)18-15(16)10-12(21-18)9-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione?
2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione has a molecular weight of 280.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 10858879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).