(4-chlorophenyl) 1-benzofuran-2-carboxylate

C15H9ClO3 — CID 725707

IUPAC(4-chlorophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H
InChIKeyQJGCBESLWOIMPP-UHFFFAOYSA-N
MW272.69 g/mol
LogP4.31
Rot. Bonds2

About (4-chlorophenyl) 1-benzofuran-2-carboxylate

(4-chlorophenyl) 1-benzofuran-2-carboxylate (PubChem CID 725707) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is (4-chlorophenyl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 1-benzofuran-2-carboxylate
PubChem CID725707
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name(4-chlorophenyl) 1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H
InChIKeyQJGCBESLWOIMPP-UHFFFAOYSA-N
XLogP4.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 1-benzofuran-2-carboxylate?
The IUPAC name of (4-chlorophenyl) 1-benzofuran-2-carboxylate (CID 725707) is (4-chlorophenyl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (4-chlorophenyl) 1-benzofuran-2-carboxylate is O=C(Oc1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of (4-chlorophenyl) 1-benzofuran-2-carboxylate?
The InChIKey is QJGCBESLWOIMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H.
What are the key properties of (4-chlorophenyl) 1-benzofuran-2-carboxylate?
(4-chlorophenyl) 1-benzofuran-2-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 725707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).