sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate

C16H16NaO3P — CID 23690966

IUPACsodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
SMILESCc1cc(C)c(C(=O)P(=O)([O-])c2ccccc2)c(C)c1.[Na+]
InChIInChI=1S/C16H17O3P.Na/c1-11-9-12(2)15(13(3)10-11)16(17)20(18,19)14-7-5-4-6-8-14;/h4-10H,1-3H3,(H,18,19);/q;+1/p-1
InChIKeyHTUBNGDYDWEYSM-UHFFFAOYSA-M
MW310.26 g/mol
LogP-0.28
Rot. Bonds3

About sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate

sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate (PubChem CID 23690966) has the molecular formula C16H16NaO3P and a molecular weight of 310.26 g/mol. Its IUPAC name is sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate.

Molecular Properties

Compound Namesodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
PubChem CID23690966
Molecular FormulaC16H16NaO3P
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Namesodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
SMILESCc1cc(C)c(C(=O)P(=O)([O-])c2ccccc2)c(C)c1.[Na+]
InChIInChI=1S/C16H17O3P.Na/c1-11-9-12(2)15(13(3)10-11)16(17)20(18,19)14-7-5-4-6-8-14;/h4-10H,1-3H3,(H,18,19);/q;+1/p-1
InChIKeyHTUBNGDYDWEYSM-UHFFFAOYSA-M
XLogP-0.28
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-0.28
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 sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate?
The IUPAC name of sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate (CID 23690966) is sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate.
What is the SMILES notation for sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate?
The canonical SMILES for sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate is Cc1cc(C)c(C(=O)P(=O)([O-])c2ccccc2)c(C)c1.[Na+].
What is the InChIKey of sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate?
The InChIKey is HTUBNGDYDWEYSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17O3P.Na/c1-11-9-12(2)15(13(3)10-11)16(17)20(18,19)14-7-5-4-6-8-14;/h4-10H,1-3H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate?
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate has a molecular weight of 310.26 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate is sourced from PubChem (CID 23690966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).