4-benzyl-2-phenylfuran

C17H14O — CID 53341681

IUPAC4-benzyl-2-phenylfuran
SMILESc1ccc(Cc2coc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H14O/c1-3-7-14(8-4-1)11-15-12-17(18-13-15)16-9-5-2-6-10-16/h1-10,12-13H,11H2
InChIKeyWIWPMQFFXJFJAM-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.54
Rot. Bonds3

About 4-benzyl-2-phenylfuran

4-benzyl-2-phenylfuran (PubChem CID 53341681) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-benzyl-2-phenylfuran.

Molecular Properties

Compound Name4-benzyl-2-phenylfuran
PubChem CID53341681
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name4-benzyl-2-phenylfuran
SMILESc1ccc(Cc2coc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H14O/c1-3-7-14(8-4-1)11-15-12-17(18-13-15)16-9-5-2-6-10-16/h1-10,12-13H,11H2
InChIKeyWIWPMQFFXJFJAM-UHFFFAOYSA-N
XLogP4.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenylfuran?
The IUPAC name of 4-benzyl-2-phenylfuran (CID 53341681) is 4-benzyl-2-phenylfuran.
What is the SMILES notation for 4-benzyl-2-phenylfuran?
The canonical SMILES for 4-benzyl-2-phenylfuran is c1ccc(Cc2coc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-benzyl-2-phenylfuran?
The InChIKey is WIWPMQFFXJFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-3-7-14(8-4-1)11-15-12-17(18-13-15)16-9-5-2-6-10-16/h1-10,12-13H,11H2.
What are the key properties of 4-benzyl-2-phenylfuran?
4-benzyl-2-phenylfuran has a molecular weight of 234.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenylfuran is sourced from PubChem (CID 53341681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).