4-methyl-2-(4-phosphorosophenyl)benzonitrile

C14H10NOP — CID 157224244

IUPAC4-methyl-2-(4-phosphorosophenyl)benzonitrile
SMILESCc1ccc(C#N)c(-c2ccc(P=O)cc2)c1
InChIInChI=1S/C14H10NOP/c1-10-2-3-12(9-15)14(8-10)11-4-6-13(17-16)7-5-11/h2-8H,1H3
InChIKeySCZKXXZJOYQUET-UHFFFAOYSA-N
MW239.21 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-2-(4-phosphorosophenyl)benzonitrile

4-methyl-2-(4-phosphorosophenyl)benzonitrile (PubChem CID 157224244) has the molecular formula C14H10NOP and a molecular weight of 239.21 g/mol. Its IUPAC name is 4-methyl-2-(4-phosphorosophenyl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(4-phosphorosophenyl)benzonitrile
PubChem CID157224244
Molecular FormulaC14H10NOP
Molecular Weight239.21 g/mol
Exact Mass239.05
IUPAC Name4-methyl-2-(4-phosphorosophenyl)benzonitrile
SMILESCc1ccc(C#N)c(-c2ccc(P=O)cc2)c1
InChIInChI=1S/C14H10NOP/c1-10-2-3-12(9-15)14(8-10)11-4-6-13(17-16)7-5-11/h2-8H,1H3
InChIKeySCZKXXZJOYQUET-UHFFFAOYSA-N
XLogP3.45
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-formylphenyl)-4-methylbenzonitrile
CID 172915428
1-ethynyl-4-methyl-2-(4-methylphenyl)benzene
CID 169408159
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
4-methyl-2-(3-methylsulfonylphenyl)benzonitrile
CID 172915425
5,12,18-tris(4-methylphenyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarbonitrile
CID 168897078
4-methyl-2-(3-propan-2-ylphenyl)benzonitrile
CID 175665531
2-(4-tert-butylphenyl)-4-(trifluoromethyl)benzonitrile
CID 58873357
4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 69489200
2-(2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzonitrile
CID 96595651
2-(3,5-dimethylphenyl)-5-methylbenzonitrile
CID 91665753
1-methyl-4-(4-methylphenyl)pyrrole-3-carbonitrile
CID 19759483
2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile
CID 175892022

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phosphorosophenyl)benzonitrile?
The IUPAC name of 4-methyl-2-(4-phosphorosophenyl)benzonitrile (CID 157224244) is 4-methyl-2-(4-phosphorosophenyl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(4-phosphorosophenyl)benzonitrile?
The canonical SMILES for 4-methyl-2-(4-phosphorosophenyl)benzonitrile is Cc1ccc(C#N)c(-c2ccc(P=O)cc2)c1.
What is the InChIKey of 4-methyl-2-(4-phosphorosophenyl)benzonitrile?
The InChIKey is SCZKXXZJOYQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NOP/c1-10-2-3-12(9-15)14(8-10)11-4-6-13(17-16)7-5-11/h2-8H,1H3.
What are the key properties of 4-methyl-2-(4-phosphorosophenyl)benzonitrile?
4-methyl-2-(4-phosphorosophenyl)benzonitrile has a molecular weight of 239.21 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phosphorosophenyl)benzonitrile is sourced from PubChem (CID 157224244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).