4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile

C15H13NO2 — CID 143183176

IUPAC4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2O)c(C)c1
InChIInChI=1S/C15H13NO2/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-16)8-13(15)17/h3-8,17H,1-2H3
InChIKeyLNJBSCQKMIPYPX-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.67
Rot. Bonds2

About 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile

4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile (PubChem CID 143183176) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
PubChem CID143183176
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2O)c(C)c1
InChIInChI=1S/C15H13NO2/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-16)8-13(15)17/h3-8,17H,1-2H3
InChIKeyLNJBSCQKMIPYPX-UHFFFAOYSA-N
XLogP3.67
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
2-(2,4-dimethylphenoxy)phenol
CID 91665530
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
4-(2-iodophenoxy)-3-methylbenzonitrile
CID 55219826

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile?
The IUPAC name of 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile (CID 143183176) is 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile is Cc1ccc(Oc2ccc(C#N)cc2O)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile?
The InChIKey is LNJBSCQKMIPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-16)8-13(15)17/h3-8,17H,1-2H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile?
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile is sourced from PubChem (CID 143183176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).