3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile

C15H13NO — CID 13415173

IUPAC3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
SMILESCc1ccc(C)c(-c2cc(C#N)ccc2O)c1
InChIInChI=1S/C15H13NO/c1-10-3-4-11(2)13(7-10)14-8-12(9-16)5-6-15(14)17/h3-8,17H,1-2H3
InChIKeyQVJPDHMQJDCIMM-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.55
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile

3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile (PubChem CID 13415173) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
PubChem CID13415173
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
SMILESCc1ccc(C)c(-c2cc(C#N)ccc2O)c1
InChIInChI=1S/C15H13NO/c1-10-3-4-11(2)13(7-10)14-8-12(9-16)5-6-15(14)17/h3-8,17H,1-2H3
InChIKeyQVJPDHMQJDCIMM-UHFFFAOYSA-N
XLogP3.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
CID 134423454
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826
4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218907
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
3-(deuteriomethyl)-4-hydroxybenzonitrile
CID 170699485
3-(4-chloro-2-fluorophenyl)-4-methylbenzonitrile
CID 172914863
2-(3-fluoro-4-methylphenyl)-4-methylphenol
CID 83129977
4-hydroxy-6-methylnaphthalene-2-carbonitrile
CID 67309332

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile (CID 13415173) is 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile is Cc1ccc(C)c(-c2cc(C#N)ccc2O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile?
The InChIKey is QVJPDHMQJDCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-3-4-11(2)13(7-10)14-8-12(9-16)5-6-15(14)17/h3-8,17H,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile?
3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile is sourced from PubChem (CID 13415173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).