(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium

C20H23O3PY — CID 59950969

IUPAC(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium
SMILESCc1cc(C)c(C(=O)[PH](=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1.[Y]
InChIInChI=1S/C20H23O3P.Y/c1-11-7-13(3)17(14(4)8-11)19(21)24(23)20(22)18-15(5)9-12(2)10-16(18)6;/h7-10,24H,1-6H3;
InChIKeyHVMRKDGBPYFUPK-UHFFFAOYSA-N
MW431.28 g/mol
LogP5.07
Rot. Bonds4

About (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium

(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium (PubChem CID 59950969) has the molecular formula C20H23O3PY and a molecular weight of 431.28 g/mol. Its IUPAC name is (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium.

Molecular Properties

Compound Name(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium
PubChem CID59950969
Molecular FormulaC20H23O3PY
Molecular Weight431.28 g/mol
Exact Mass431.04
IUPAC Name(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium
SMILESCc1cc(C)c(C(=O)[PH](=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1.[Y]
InChIInChI=1S/C20H23O3P.Y/c1-11-7-13(3)17(14(4)8-11)19(21)24(23)20(22)18-15(5)9-12(2)10-16(18)6;/h7-10,24H,1-6H3;
InChIKeyHVMRKDGBPYFUPK-UHFFFAOYSA-N
XLogP5.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.28
LogP ≤ 55.07
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 (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium?
The IUPAC name of (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium (CID 59950969) is (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium.
What is the SMILES notation for (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium?
The canonical SMILES for (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium is Cc1cc(C)c(C(=O)[PH](=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1.[Y].
What is the InChIKey of (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium?
The InChIKey is HVMRKDGBPYFUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O3P.Y/c1-11-7-13(3)17(14(4)8-11)19(21)24(23)20(22)18-15(5)9-12(2)10-16(18)6;/h7-10,24H,1-6H3;.
What are the key properties of (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium?
(2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium has a molecular weight of 431.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylbenzoyl)phosphonoyl-(2,4,6-trimethylphenyl)methanone;yttrium is sourced from PubChem (CID 59950969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).