5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile

C17H11NO2 — CID 2764476

IUPAC5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccc(-c3ccccc3)cc2)COC1=O
InChIInChI=1S/C17H11NO2/c18-10-15-16(11-20-17(15)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,11H2
InChIKeyTTZMUQGRABVCDG-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.19
Rot. Bonds2

About 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile

5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile (PubChem CID 2764476) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile.

Molecular Properties

Compound Name5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile
PubChem CID2764476
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccc(-c3ccccc3)cc2)COC1=O
InChIInChI=1S/C17H11NO2/c18-10-15-16(11-20-17(15)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,11H2
InChIKeyTTZMUQGRABVCDG-UHFFFAOYSA-N
XLogP3.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile?
The IUPAC name of 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile (CID 2764476) is 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile.
What is the SMILES notation for 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile?
The canonical SMILES for 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile is N#CC1=C(c2ccc(-c3ccccc3)cc2)COC1=O.
What is the InChIKey of 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile?
The InChIKey is TTZMUQGRABVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-10-15-16(11-20-17(15)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,11H2.
What are the key properties of 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile?
5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile is sourced from PubChem (CID 2764476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).