1,3-diphenyl-2-benzofuran

C20H14O — CID 21649

IUPAC1,3-diphenyl-2-benzofuran
SMILESc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChIKeyZKSVYBRJSMBDMV-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.77
Rot. Bonds2

About 1,3-diphenyl-2-benzofuran

1,3-diphenyl-2-benzofuran (PubChem CID 21649) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,3-diphenyl-2-benzofuran.

Molecular Properties

Compound Name1,3-diphenyl-2-benzofuran
PubChem CID21649
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name1,3-diphenyl-2-benzofuran
SMILESc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChIKeyZKSVYBRJSMBDMV-UHFFFAOYSA-N
XLogP5.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-benzofuran?
The IUPAC name of 1,3-diphenyl-2-benzofuran (CID 21649) is 1,3-diphenyl-2-benzofuran.
What is the SMILES notation for 1,3-diphenyl-2-benzofuran?
The canonical SMILES for 1,3-diphenyl-2-benzofuran is c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1,3-diphenyl-2-benzofuran?
The InChIKey is ZKSVYBRJSMBDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1,3-diphenyl-2-benzofuran?
1,3-diphenyl-2-benzofuran has a molecular weight of 270.33 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-benzofuran is sourced from PubChem (CID 21649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).