ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate

C19H15ClO3 — CID 24751968

IUPACethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H15ClO3/c1-2-22-19(21)18-16(13-6-4-3-5-7-13)12-17(23-18)14-8-10-15(20)11-9-14/h3-12H,2H2,1H3
InChIKeyFHBIYTCJXRGIHL-UHFFFAOYSA-N
MW326.78 g/mol
LogP5.44
Rot. Bonds4

About ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate

ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate (PubChem CID 24751968) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
PubChem CID24751968
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Nameethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H15ClO3/c1-2-22-19(21)18-16(13-6-4-3-5-7-13)12-17(23-18)14-8-10-15(20)11-9-14/h3-12H,2H2,1H3
InChIKeyFHBIYTCJXRGIHL-UHFFFAOYSA-N
XLogP5.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-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 ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate (CID 24751968) is ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate is CCOC(=O)c1oc(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate?
The InChIKey is FHBIYTCJXRGIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-2-22-19(21)18-16(13-6-4-3-5-7-13)12-17(23-18)14-8-10-15(20)11-9-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate?
ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate is sourced from PubChem (CID 24751968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).