1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene

C15H17OP — CID 685678

IUPAC1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene
SMILESCc1ccc(P(C)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17OP/c1-12-4-8-14(9-5-12)17(3,16)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKeyRIFSNJVUWJFVIA-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.25
Rot. Bonds2

About 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene

1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene (PubChem CID 685678) has the molecular formula C15H17OP and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene
PubChem CID685678
Molecular FormulaC15H17OP
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene
SMILESCc1ccc(P(C)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17OP/c1-12-4-8-14(9-5-12)17(3,16)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKeyRIFSNJVUWJFVIA-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene?
The IUPAC name of 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene (CID 685678) is 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene.
What is the SMILES notation for 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene?
The canonical SMILES for 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene is Cc1ccc(P(C)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene?
The InChIKey is RIFSNJVUWJFVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17OP/c1-12-4-8-14(9-5-12)17(3,16)15-10-6-13(2)7-11-15/h4-11H,1-3H3.
What are the key properties of 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene?
1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene has a molecular weight of 244.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl-(4-methylphenyl)phosphoryl]benzene is sourced from PubChem (CID 685678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).