4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile

C15H13NO — CID 141464869

IUPAC4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(C#N)c(C)c2)ccc1O
InChIInChI=1S/C15H13NO/c1-10-7-12(3-4-14(10)9-16)13-5-6-15(17)11(2)8-13/h3-8,17H,1-2H3
InChIKeyUCMHDBXILXFQRT-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.55
Rot. Bonds1

About 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile

4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile (PubChem CID 141464869) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
PubChem CID141464869
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(C#N)c(C)c2)ccc1O
InChIInChI=1S/C15H13NO/c1-10-7-12(3-4-14(10)9-16)13-5-6-15(17)11(2)8-13/h3-8,17H,1-2H3
InChIKeyUCMHDBXILXFQRT-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

4-(4-aminophenyl)-2-methylbenzonitrile
CID 142273516
3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
CID 134423454
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
5-(3,4-dimethylphenyl)-2-methylbenzonitrile
CID 138665963
2-methyl-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134627253
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
2-hydroxy-5-(3-methylphenyl)benzonitrile
CID 53219819
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
CID 53219834
4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile
CID 151004170
4-(hydroxymethyl)-2-methylbenzonitrile
CID 59460759
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile (CID 141464869) is 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile is Cc1cc(-c2ccc(C#N)c(C)c2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile?
The InChIKey is UCMHDBXILXFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-7-12(3-4-14(10)9-16)13-5-6-15(17)11(2)8-13/h3-8,17H,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile?
4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile 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 4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile is sourced from PubChem (CID 141464869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).