1-benzyl-2-benzofuran

C15H12O — CID 12618140

IUPAC1-benzyl-2-benzofuran
SMILESc1ccc(Cc2occ3ccccc23)cc1
InChIInChI=1S/C15H12O/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-15/h1-9,11H,10H2
InChIKeyWJKWZAWTLXQRRB-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.02
Rot. Bonds2

About 1-benzyl-2-benzofuran

1-benzyl-2-benzofuran (PubChem CID 12618140) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzyl-2-benzofuran.

Molecular Properties

Compound Name1-benzyl-2-benzofuran
PubChem CID12618140
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1-benzyl-2-benzofuran
SMILESc1ccc(Cc2occ3ccccc23)cc1
InChIInChI=1S/C15H12O/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-15/h1-9,11H,10H2
InChIKeyWJKWZAWTLXQRRB-UHFFFAOYSA-N
XLogP4.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-benzofuran?
The IUPAC name of 1-benzyl-2-benzofuran (CID 12618140) is 1-benzyl-2-benzofuran.
What is the SMILES notation for 1-benzyl-2-benzofuran?
The canonical SMILES for 1-benzyl-2-benzofuran is c1ccc(Cc2occ3ccccc23)cc1.
What is the InChIKey of 1-benzyl-2-benzofuran?
The InChIKey is WJKWZAWTLXQRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-15/h1-9,11H,10H2.
What are the key properties of 1-benzyl-2-benzofuran?
1-benzyl-2-benzofuran has a molecular weight of 208.26 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-benzofuran is sourced from PubChem (CID 12618140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).