ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

C25H22O4 — CID 2025697

IUPACethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C)cc3)cc12
InChIInChI=1S/C25H22O4/c1-3-27-25(26)23-21-15-20(28-16-18-11-9-17(2)10-12-18)13-14-22(21)29-24(23)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyRRBNDMLYALOWOB-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.16
Rot. Bonds6

About ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 2025697) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID2025697
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Nameethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C)cc3)cc12
InChIInChI=1S/C25H22O4/c1-3-27-25(26)23-21-15-20(28-16-18-11-9-17(2)10-12-18)13-14-22(21)29-24(23)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyRRBNDMLYALOWOB-UHFFFAOYSA-N
XLogP6.16
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-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-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate (CID 2025697) is ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C)cc3)cc12.
What is the InChIKey of ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is RRBNDMLYALOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-3-27-25(26)23-21-15-20(28-16-18-11-9-17(2)10-12-18)13-14-22(21)29-24(23)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3.
What are the key properties of ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 2025697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).