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

C13H10Cl2O — CID 114734018

IUPAC5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran
SMILESClc1ccc2oc(C3=CC(Cl)CC3)cc2c1
InChIInChI=1S/C13H10Cl2O/c14-10-2-1-8(5-10)13-7-9-6-11(15)3-4-12(9)16-13/h3-7,10H,1-2H2
InChIKeyOYRNXTHEVSNJGN-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.87
Rot. Bonds1

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

5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran (PubChem CID 114734018) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran
PubChem CID114734018
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran
SMILESClc1ccc2oc(C3=CC(Cl)CC3)cc2c1
InChIInChI=1S/C13H10Cl2O/c14-10-2-1-8(5-10)13-7-9-6-11(15)3-4-12(9)16-13/h3-7,10H,1-2H2
InChIKeyOYRNXTHEVSNJGN-UHFFFAOYSA-N
XLogP4.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran (CID 114734018) is 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran is Clc1ccc2oc(C3=CC(Cl)CC3)cc2c1.
What is the InChIKey of 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran?
The InChIKey is OYRNXTHEVSNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-10-2-1-8(5-10)13-7-9-6-11(15)3-4-12(9)16-13/h3-7,10H,1-2H2.
What are the key properties of 5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran?
5-chloro-2-(3-chlorocyclopenten-1-yl)-1-benzofuran has a molecular weight of 253.13 g/mol, XLogP of 4.87, 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-chlorocyclopenten-1-yl)-1-benzofuran is sourced from PubChem (CID 114734018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).