6-cyclohexyl-3H-1-benzofuran-2-one

C14H16O2 — CID 21447326

IUPAC6-cyclohexyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(C3CCCCC3)cc2O1
InChIInChI=1S/C14H16O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyANCFABZMIOVNLL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.20
Rot. Bonds1

About 6-cyclohexyl-3H-1-benzofuran-2-one

6-cyclohexyl-3H-1-benzofuran-2-one (PubChem CID 21447326) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-cyclohexyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3H-1-benzofuran-2-one
PubChem CID21447326
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6-cyclohexyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(C3CCCCC3)cc2O1
InChIInChI=1S/C14H16O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyANCFABZMIOVNLL-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 6-cyclohexyl-3H-1-benzofuran-2-one 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 6-cyclohexyl-3H-1-benzofuran-2-one?
The IUPAC name of 6-cyclohexyl-3H-1-benzofuran-2-one (CID 21447326) is 6-cyclohexyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 6-cyclohexyl-3H-1-benzofuran-2-one?
The canonical SMILES for 6-cyclohexyl-3H-1-benzofuran-2-one is O=C1Cc2ccc(C3CCCCC3)cc2O1.
What is the InChIKey of 6-cyclohexyl-3H-1-benzofuran-2-one?
The InChIKey is ANCFABZMIOVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 6-cyclohexyl-3H-1-benzofuran-2-one?
6-cyclohexyl-3H-1-benzofuran-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 21447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).