bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone

C22H21O2P — CID 154663446

IUPACbis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21O2P/c1-16-4-10-19(11-5-16)22(23)25(24,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyLQFYVBSAPLDLAO-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.77
Rot. Bonds4

About bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone

bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone (PubChem CID 154663446) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone.

Molecular Properties

Compound Namebis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
PubChem CID154663446
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Namebis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21O2P/c1-16-4-10-19(11-5-16)22(23)25(24,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyLQFYVBSAPLDLAO-UHFFFAOYSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
CID 164997994
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
[[bis(4-methylbenzoyl)phosphinothioylamino]-(4-methylbenzoyl)phosphinothioyl]-(4-methylphenyl)methanone
CID 88546872
copper(1+);4-methylthiobenzate
CID 13131237
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
(3,4-dimethylbenzoyl)oxy-(4-methylbenzoyl)phosphinic acid
CID 87155992
[1-(4-methylphenyl)-1-oxobut-2-en-2-yl]phosphonic acid
CID 66797354
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
4-methylbenzoyl chloride
CID 13405
1-dibromophosphoryl-4-methylbenzene
CID 154160325

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone?
The IUPAC name of bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone (CID 154663446) is bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone.
What is the SMILES notation for bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone?
The canonical SMILES for bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone is Cc1ccc(C(=O)P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone?
The InChIKey is LQFYVBSAPLDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P/c1-16-4-10-19(11-5-16)22(23)25(24,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone?
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone has a molecular weight of 348.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone is sourced from PubChem (CID 154663446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).