4-(4-hydroxyphenyl)thiophene-3-carbonitrile

C11H7NOS — CID 59447572

IUPAC4-(4-hydroxyphenyl)thiophene-3-carbonitrile
SMILESN#Cc1cscc1-c1ccc(O)cc1
InChIInChI=1S/C11H7NOS/c12-5-9-6-14-7-11(9)8-1-3-10(13)4-2-8/h1-4,6-7,13H
InChIKeyPFMGELZIALZDGL-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-hydroxyphenyl)thiophene-3-carbonitrile

4-(4-hydroxyphenyl)thiophene-3-carbonitrile (PubChem CID 59447572) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)thiophene-3-carbonitrile
PubChem CID59447572
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name4-(4-hydroxyphenyl)thiophene-3-carbonitrile
SMILESN#Cc1cscc1-c1ccc(O)cc1
InChIInChI=1S/C11H7NOS/c12-5-9-6-14-7-11(9)8-1-3-10(13)4-2-8/h1-4,6-7,13H
InChIKeyPFMGELZIALZDGL-UHFFFAOYSA-N
XLogP2.99
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)thiophene-3-carbonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)thiophene-3-carbonitrile (CID 59447572) is 4-(4-hydroxyphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)thiophene-3-carbonitrile is N#Cc1cscc1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)thiophene-3-carbonitrile?
The InChIKey is PFMGELZIALZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c12-5-9-6-14-7-11(9)8-1-3-10(13)4-2-8/h1-4,6-7,13H.
What are the key properties of 4-(4-hydroxyphenyl)thiophene-3-carbonitrile?
4-(4-hydroxyphenyl)thiophene-3-carbonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 59447572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).