3,3-diphenyl-1H-2-benzofuran

C20H16O — CID 571068

IUPAC3,3-diphenyl-1H-2-benzofuran
SMILESc1ccc(C2(c3ccccc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2
InChIKeyWCVJCIOXWMPICT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.51
Rot. Bonds2

About 3,3-diphenyl-1H-2-benzofuran

3,3-diphenyl-1H-2-benzofuran (PubChem CID 571068) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,3-diphenyl-1H-2-benzofuran.

Molecular Properties

Compound Name3,3-diphenyl-1H-2-benzofuran
PubChem CID571068
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name3,3-diphenyl-1H-2-benzofuran
SMILESc1ccc(C2(c3ccccc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2
InChIKeyWCVJCIOXWMPICT-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-diphenyl-1H-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 3,3-diphenyl-1H-2-benzofuran?
The IUPAC name of 3,3-diphenyl-1H-2-benzofuran (CID 571068) is 3,3-diphenyl-1H-2-benzofuran.
What is the SMILES notation for 3,3-diphenyl-1H-2-benzofuran?
The canonical SMILES for 3,3-diphenyl-1H-2-benzofuran is c1ccc(C2(c3ccccc3)OCc3ccccc32)cc1.
What is the InChIKey of 3,3-diphenyl-1H-2-benzofuran?
The InChIKey is WCVJCIOXWMPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2.
What are the key properties of 3,3-diphenyl-1H-2-benzofuran?
3,3-diphenyl-1H-2-benzofuran has a molecular weight of 272.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1H-2-benzofuran is sourced from PubChem (CID 571068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).