4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile

C14H11NOS — CID 91879591

IUPAC4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
SMILESCc1cc(O)ccc1Sc1ccc(C#N)cc1
InChIInChI=1S/C14H11NOS/c1-10-8-12(16)4-7-14(10)17-13-5-2-11(9-15)3-6-13/h2-8,16H,1H3
InChIKeyGRAKEQBSFMKDMC-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.72
Rot. Bonds2

About 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile

4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile (PubChem CID 91879591) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
PubChem CID91879591
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
SMILESCc1cc(O)ccc1Sc1ccc(C#N)cc1
InChIInChI=1S/C14H11NOS/c1-10-8-12(16)4-7-14(10)17-13-5-2-11(9-15)3-6-13/h2-8,16H,1H3
InChIKeyGRAKEQBSFMKDMC-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile?
The IUPAC name of 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile (CID 91879591) is 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile?
The canonical SMILES for 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile is Cc1cc(O)ccc1Sc1ccc(C#N)cc1.
What is the InChIKey of 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile?
The InChIKey is GRAKEQBSFMKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10-8-12(16)4-7-14(10)17-13-5-2-11(9-15)3-6-13/h2-8,16H,1H3.
What are the key properties of 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile?
4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile has a molecular weight of 241.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 91879591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).