1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene

C16H19OP — CID 90152256

IUPAC1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
SMILESCc1cc(C)c([P@@](C)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19OP/c1-12-10-13(2)16(14(3)11-12)18(4,17)15-8-6-5-7-9-15/h5-11H,1-4H3/t18-/m0/s1
InChIKeyWUPDWPFZMLFVHC-SFHVURJKSA-N
MW258.30 g/mol
LogP3.56
Rot. Bonds2

About 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene

1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene (PubChem CID 90152256) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
PubChem CID90152256
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
SMILESCc1cc(C)c([P@@](C)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19OP/c1-12-10-13(2)16(14(3)11-12)18(4,17)15-8-6-5-7-9-15/h5-11H,1-4H3/t18-/m0/s1
InChIKeyWUPDWPFZMLFVHC-SFHVURJKSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-2-[methyl(phenyl)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 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene (CID 90152256) is 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene is Cc1cc(C)c([P@@](C)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene?
The InChIKey is WUPDWPFZMLFVHC-SFHVURJKSA-N. The full InChI is InChI=1S/C16H19OP/c1-12-10-13(2)16(14(3)11-12)18(4,17)15-8-6-5-7-9-15/h5-11H,1-4H3/t18-/m0/s1.
What are the key properties of 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene?
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene has a molecular weight of 258.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 90152256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).