methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate

C16H11ClO3 — CID 67551871

IUPACmethyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H11ClO3/c1-19-16(18)11-4-7-14-12(8-11)9-15(20-14)10-2-5-13(17)6-3-10/h2-9H,1H3
InChIKeyXNXHUPXEIYNPTA-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.54
Rot. Bonds2

About methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate

methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate (PubChem CID 67551871) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
PubChem CID67551871
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Namemethyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C16H11ClO3/c1-19-16(18)11-4-7-14-12(8-11)9-15(20-14)10-2-5-13(17)6-3-10/h2-9H,1H3
InChIKeyXNXHUPXEIYNPTA-UHFFFAOYSA-N
XLogP4.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate 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 methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate (CID 67551871) is methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate is COC(=O)c1ccc2oc(-c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate?
The InChIKey is XNXHUPXEIYNPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-19-16(18)11-4-7-14-12(8-11)9-15(20-14)10-2-5-13(17)6-3-10/h2-9H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate?
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate has a molecular weight of 286.71 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate is sourced from PubChem (CID 67551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).