bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone

C24H21O4P — CID 18353869

IUPACbis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)P(=O)(C(=O)c1ccccc1C)C(=O)c1ccccc1C
InChIInChI=1S/C24H21O4P/c1-16-10-4-7-13-19(16)22(25)29(28,23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyFRBYZNBJLWIYCC-UHFFFAOYSA-N
MW404.40 g/mol
LogP5.80
Rot. Bonds6

About bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone

bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone (PubChem CID 18353869) has the molecular formula C24H21O4P and a molecular weight of 404.40 g/mol. Its IUPAC name is bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone.

Molecular Properties

Compound Namebis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
PubChem CID18353869
Molecular FormulaC24H21O4P
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Namebis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)P(=O)(C(=O)c1ccccc1C)C(=O)c1ccccc1C
InChIInChI=1S/C24H21O4P/c1-16-10-4-7-13-19(16)22(25)29(28,23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyFRBYZNBJLWIYCC-UHFFFAOYSA-N
XLogP5.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;(2-methylphenyl)-phosphonatomethanone
CID 66884074
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
phosphono 2-methylbenzoate
CID 66728080
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
tris(2-methylbenzoyl)sulfanium
CID 142714960
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone?
The IUPAC name of bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone (CID 18353869) is bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone.
What is the SMILES notation for bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone?
The canonical SMILES for bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)P(=O)(C(=O)c1ccccc1C)C(=O)c1ccccc1C.
What is the InChIKey of bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone?
The InChIKey is FRBYZNBJLWIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O4P/c1-16-10-4-7-13-19(16)22(25)29(28,23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3/h4-15H,1-3H3.
What are the key properties of bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone?
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone has a molecular weight of 404.40 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone is sourced from PubChem (CID 18353869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).