(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium

C23H19ClO3P+ — CID 70017070

IUPAC(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
SMILESCc1cccc(Cl)c1C(=O)[P+](=O)c1c(C)ccc(C(=O)c2ccccc2)c1C
InChIInChI=1S/C23H19ClO3P/c1-14-8-7-11-19(24)20(14)23(26)28(27)22-15(2)12-13-18(16(22)3)21(25)17-9-5-4-6-10-17/h4-13H,1-3H3/q+1
InChIKeyAFQRLPABJJBIFX-UHFFFAOYSA-N
MW409.83 g/mol
LogP5.79
Rot. Bonds5

About (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium

(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium (PubChem CID 70017070) has the molecular formula C23H19ClO3P+ and a molecular weight of 409.83 g/mol. Its IUPAC name is (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium.

Molecular Properties

Compound Name(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
PubChem CID70017070
Molecular FormulaC23H19ClO3P+
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Name(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
SMILESCc1cccc(Cl)c1C(=O)[P+](=O)c1c(C)ccc(C(=O)c2ccccc2)c1C
InChIInChI=1S/C23H19ClO3P/c1-14-8-7-11-19(24)20(14)23(26)28(27)22-15(2)12-13-18(16(22)3)21(25)17-9-5-4-6-10-17/h4-13H,1-3H3/q+1
InChIKeyAFQRLPABJJBIFX-UHFFFAOYSA-N
XLogP5.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.83
LogP ≤ 55.79
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 (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium?
The IUPAC name of (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium (CID 70017070) is (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium.
What is the SMILES notation for (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium?
The canonical SMILES for (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium is Cc1cccc(Cl)c1C(=O)[P+](=O)c1c(C)ccc(C(=O)c2ccccc2)c1C.
What is the InChIKey of (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium?
The InChIKey is AFQRLPABJJBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3P/c1-14-8-7-11-19(24)20(14)23(26)28(27)22-15(2)12-13-18(16(22)3)21(25)17-9-5-4-6-10-17/h4-13H,1-3H3/q+1.
What are the key properties of (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium?
(3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium has a molecular weight of 409.83 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2,6-dimethylphenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium is sourced from PubChem (CID 70017070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).