5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran

C14H12Cl2O — CID 114734006

IUPAC5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran
SMILESClc1ccc2oc(C3=CC(Cl)CCC3)cc2c1
InChIInChI=1S/C14H12Cl2O/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h4-8,11H,1-3H2
InChIKeyREMLHYQEEURQLB-UHFFFAOYSA-N
MW267.15 g/mol
LogP5.26
Rot. Bonds1

About 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran

5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran (PubChem CID 114734006) has the molecular formula C14H12Cl2O and a molecular weight of 267.15 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran
PubChem CID114734006
Molecular FormulaC14H12Cl2O
Molecular Weight267.15 g/mol
Exact Mass266.03
IUPAC Name5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran
SMILESClc1ccc2oc(C3=CC(Cl)CCC3)cc2c1
InChIInChI=1S/C14H12Cl2O/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h4-8,11H,1-3H2
InChIKeyREMLHYQEEURQLB-UHFFFAOYSA-N
XLogP5.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.15
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran 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 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran (CID 114734006) is 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran is Clc1ccc2oc(C3=CC(Cl)CCC3)cc2c1.
What is the InChIKey of 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran?
The InChIKey is REMLHYQEEURQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h4-8,11H,1-3H2.
What are the key properties of 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran?
5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran has a molecular weight of 267.15 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorocyclohexen-1-yl)-1-benzofuran is sourced from PubChem (CID 114734006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).