5-chloro-2-(4-chlorophenyl)-1-benzofuran

C14H8Cl2O — CID 621781

IUPAC5-chloro-2-(4-chlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H8Cl2O/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8H
InChIKeyYKERDEPLKGGNOW-UHFFFAOYSA-N
MW263.12 g/mol
LogP5.41
Rot. Bonds1

About 5-chloro-2-(4-chlorophenyl)-1-benzofuran

5-chloro-2-(4-chlorophenyl)-1-benzofuran (PubChem CID 621781) has the molecular formula C14H8Cl2O and a molecular weight of 263.12 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-1-benzofuran
PubChem CID621781
Molecular FormulaC14H8Cl2O
Molecular Weight263.12 g/mol
Exact Mass262.00
IUPAC Name5-chloro-2-(4-chlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H8Cl2O/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8H
InChIKeyYKERDEPLKGGNOW-UHFFFAOYSA-N
XLogP5.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.12
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-1-benzofuran (CID 621781) is 5-chloro-2-(4-chlorophenyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-1-benzofuran is Clc1ccc(-c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-1-benzofuran?
The InChIKey is YKERDEPLKGGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8H.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-1-benzofuran?
5-chloro-2-(4-chlorophenyl)-1-benzofuran has a molecular weight of 263.12 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-1-benzofuran is sourced from PubChem (CID 621781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).