2-(1-benzofuran-2-ylmethyl)-1-benzofuran

C17H12O2 — CID 3010578

IUPAC2-(1-benzofuran-2-ylmethyl)-1-benzofuran
SMILESc1ccc2oc(Cc3cc4ccccc4o3)cc2c1
InChIInChI=1S/C17H12O2/c1-3-7-16-12(5-1)9-14(18-16)11-15-10-13-6-2-4-8-17(13)19-15/h1-10H,11H2
InChIKeyAKLKOVJMASEBGP-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.77
Rot. Bonds2

About 2-(1-benzofuran-2-ylmethyl)-1-benzofuran

2-(1-benzofuran-2-ylmethyl)-1-benzofuran (PubChem CID 3010578) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-1-benzofuran.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-1-benzofuran
PubChem CID3010578
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name2-(1-benzofuran-2-ylmethyl)-1-benzofuran
SMILESc1ccc2oc(Cc3cc4ccccc4o3)cc2c1
InChIInChI=1S/C17H12O2/c1-3-7-16-12(5-1)9-14(18-16)11-15-10-13-6-2-4-8-17(13)19-15/h1-10H,11H2
InChIKeyAKLKOVJMASEBGP-UHFFFAOYSA-N
XLogP4.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-benzofuran?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-benzofuran (CID 3010578) is 2-(1-benzofuran-2-ylmethyl)-1-benzofuran.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-1-benzofuran?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-1-benzofuran is c1ccc2oc(Cc3cc4ccccc4o3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-1-benzofuran?
The InChIKey is AKLKOVJMASEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c1-3-7-16-12(5-1)9-14(18-16)11-15-10-13-6-2-4-8-17(13)19-15/h1-10H,11H2.
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-1-benzofuran?
2-(1-benzofuran-2-ylmethyl)-1-benzofuran has a molecular weight of 248.28 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-1-benzofuran is sourced from PubChem (CID 3010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).