phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone

C16H15O2P — CID 87885777

IUPACphosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
SMILESCc1cc(C)c(-c2ccccc2C(=O)P=O)c(C)c1
InChIInChI=1S/C16H15O2P/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16(17)19-18/h4-9H,1-3H3
InChIKeyZLSHDTWNJIVHLZ-UHFFFAOYSA-N
MW270.27 g/mol
LogP4.71
Rot. Bonds3

About phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone

phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone (PubChem CID 87885777) has the molecular formula C16H15O2P and a molecular weight of 270.27 g/mol. Its IUPAC name is phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone.

Molecular Properties

Compound Namephosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
PubChem CID87885777
Molecular FormulaC16H15O2P
Molecular Weight270.27 g/mol
Exact Mass270.08
IUPAC Namephosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
SMILESCc1cc(C)c(-c2ccccc2C(=O)P=O)c(C)c1
InChIInChI=1S/C16H15O2P/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16(17)19-18/h4-9H,1-3H3
InChIKeyZLSHDTWNJIVHLZ-UHFFFAOYSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone?
The IUPAC name of phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone (CID 87885777) is phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone.
What is the SMILES notation for phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone?
The canonical SMILES for phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone is Cc1cc(C)c(-c2ccccc2C(=O)P=O)c(C)c1.
What is the InChIKey of phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone?
The InChIKey is ZLSHDTWNJIVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O2P/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16(17)19-18/h4-9H,1-3H3.
What are the key properties of phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone?
phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone has a molecular weight of 270.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone is sourced from PubChem (CID 87885777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).