5-(3,5-dimethylphenoxy)furan-2-carbonitrile

C13H11NO2 — CID 28814798

IUPAC5-(3,5-dimethylphenoxy)furan-2-carbonitrile
SMILESCc1cc(C)cc(Oc2ccc(C#N)o2)c1
InChIInChI=1S/C13H11NO2/c1-9-5-10(2)7-12(6-9)16-13-4-3-11(8-14)15-13/h3-7H,1-2H3
InChIKeyDLALHDNNNKZDEI-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.56
Rot. Bonds2

About 5-(3,5-dimethylphenoxy)furan-2-carbonitrile

5-(3,5-dimethylphenoxy)furan-2-carbonitrile (PubChem CID 28814798) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(3,5-dimethylphenoxy)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylphenoxy)furan-2-carbonitrile
PubChem CID28814798
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-(3,5-dimethylphenoxy)furan-2-carbonitrile
SMILESCc1cc(C)cc(Oc2ccc(C#N)o2)c1
InChIInChI=1S/C13H11NO2/c1-9-5-10(2)7-12(6-9)16-13-4-3-11(8-14)15-13/h3-7H,1-2H3
InChIKeyDLALHDNNNKZDEI-UHFFFAOYSA-N
XLogP3.56
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenoxy)furan-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethylphenoxy)furan-2-carbonitrile (CID 28814798) is 5-(3,5-dimethylphenoxy)furan-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylphenoxy)furan-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylphenoxy)furan-2-carbonitrile is Cc1cc(C)cc(Oc2ccc(C#N)o2)c1.
What is the InChIKey of 5-(3,5-dimethylphenoxy)furan-2-carbonitrile?
The InChIKey is DLALHDNNNKZDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-5-10(2)7-12(6-9)16-13-4-3-11(8-14)15-13/h3-7H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenoxy)furan-2-carbonitrile?
5-(3,5-dimethylphenoxy)furan-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenoxy)furan-2-carbonitrile is sourced from PubChem (CID 28814798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).