4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile

C13H11NOS — CID 115481022

IUPAC4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
SMILESN#Cc1ccc(C(O)Cc2cccs2)cc1
InChIInChI=1S/C13H11NOS/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7,13,15H,8H2
InChIKeyZVRAJOUURMXQCI-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.90
Rot. Bonds3

About 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile

4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile (PubChem CID 115481022) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
PubChem CID115481022
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
SMILESN#Cc1ccc(C(O)Cc2cccs2)cc1
InChIInChI=1S/C13H11NOS/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7,13,15H,8H2
InChIKeyZVRAJOUURMXQCI-UHFFFAOYSA-N
XLogP2.90
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
CID 55151573
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
4-[2-(furan-3-yl)-1-hydroxyethyl]benzonitrile
CID 83172812
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile?
The IUPAC name of 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile (CID 115481022) is 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile.
What is the SMILES notation for 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile?
The canonical SMILES for 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile is N#Cc1ccc(C(O)Cc2cccs2)cc1.
What is the InChIKey of 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile?
The InChIKey is ZVRAJOUURMXQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7,13,15H,8H2.
What are the key properties of 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile?
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile has a molecular weight of 229.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile is sourced from PubChem (CID 115481022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).