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

C17H19O3P — CID 20501383

IUPAC[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C17H19O3P/c1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyIEWRMZSVIVEQCP-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.00
Rot. Bonds4

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

[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 20501383) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID20501383
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C17H19O3P/c1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyIEWRMZSVIVEQCP-UHFFFAOYSA-N
XLogP4.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 20501383) is [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is COP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is IEWRMZSVIVEQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h5-11H,1-4H3.
What are the key properties of [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 302.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 20501383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).