1-(3-benzylphenyl)-2-benzofuran

C21H16O — CID 174891075

IUPAC1-(3-benzylphenyl)-2-benzofuran
SMILESc1ccc(Cc2cccc(-c3occ4ccccc34)c2)cc1
InChIInChI=1S/C21H16O/c1-2-7-16(8-3-1)13-17-9-6-11-18(14-17)21-20-12-5-4-10-19(20)15-22-21/h1-12,14-15H,13H2
InChIKeyWZDWBDQNZMGPQB-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.69
Rot. Bonds3

About 1-(3-benzylphenyl)-2-benzofuran

1-(3-benzylphenyl)-2-benzofuran (PubChem CID 174891075) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(3-benzylphenyl)-2-benzofuran
PubChem CID174891075
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name1-(3-benzylphenyl)-2-benzofuran
SMILESc1ccc(Cc2cccc(-c3occ4ccccc34)c2)cc1
InChIInChI=1S/C21H16O/c1-2-7-16(8-3-1)13-17-9-6-11-18(14-17)21-20-12-5-4-10-19(20)15-22-21/h1-12,14-15H,13H2
InChIKeyWZDWBDQNZMGPQB-UHFFFAOYSA-N
XLogP5.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-benzylphenyl)-2-benzofuran 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 1-(3-benzylphenyl)-2-benzofuran?
The IUPAC name of 1-(3-benzylphenyl)-2-benzofuran (CID 174891075) is 1-(3-benzylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(3-benzylphenyl)-2-benzofuran?
The canonical SMILES for 1-(3-benzylphenyl)-2-benzofuran is c1ccc(Cc2cccc(-c3occ4ccccc34)c2)cc1.
What is the InChIKey of 1-(3-benzylphenyl)-2-benzofuran?
The InChIKey is WZDWBDQNZMGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-2-7-16(8-3-1)13-17-9-6-11-18(14-17)21-20-12-5-4-10-19(20)15-22-21/h1-12,14-15H,13H2.
What are the key properties of 1-(3-benzylphenyl)-2-benzofuran?
1-(3-benzylphenyl)-2-benzofuran has a molecular weight of 284.36 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-2-benzofuran is sourced from PubChem (CID 174891075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).