2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile

C14H11NOS — CID 53219996

IUPAC2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile
SMILESCSc1ccc(-c2ccc(O)c(C#N)c2)cc1
InChIInChI=1S/C14H11NOS/c1-17-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15/h2-8,16H,1H3
InChIKeyHQDFCZMWOAPWCN-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.65
Rot. Bonds2

About 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile

2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile (PubChem CID 53219996) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile
PubChem CID53219996
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile
SMILESCSc1ccc(-c2ccc(O)c(C#N)c2)cc1
InChIInChI=1S/C14H11NOS/c1-17-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15/h2-8,16H,1H3
InChIKeyHQDFCZMWOAPWCN-UHFFFAOYSA-N
XLogP3.65
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile?
The IUPAC name of 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile (CID 53219996) is 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile is CSc1ccc(-c2ccc(O)c(C#N)c2)cc1.
What is the InChIKey of 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile?
The InChIKey is HQDFCZMWOAPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-17-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15/h2-8,16H,1H3.
What are the key properties of 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile?
2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile has a molecular weight of 241.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile is sourced from PubChem (CID 53219996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).