4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile

C15H10F3NO2 — CID 11616298

IUPAC4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C15H10F3NO2/c1-9-2-5-14(13(20)6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
InChIKeyJNVXGMYPPRIDPE-UHFFFAOYSA-N
MW293.24 g/mol
LogP4.38
Rot. Bonds2

About 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile

4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 11616298) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID11616298
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C15H10F3NO2/c1-9-2-5-14(13(20)6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
InChIKeyJNVXGMYPPRIDPE-UHFFFAOYSA-N
XLogP4.38
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile (CID 11616298) is 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile is Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(O)c1.
What is the InChIKey of 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is JNVXGMYPPRIDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c1-9-2-5-14(13(20)6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3.
What are the key properties of 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 293.24 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11616298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).