dibenzylphosphoryl-(2,6-dimethylphenyl)methanone

C23H23O2P — CID 18400288

IUPACdibenzylphosphoryl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23O2P/c1-18-10-9-11-19(2)22(18)23(24)26(25,16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3
InChIKeyONMUQDRAUDMIMQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP6.21
Rot. Bonds6

About dibenzylphosphoryl-(2,6-dimethylphenyl)methanone

dibenzylphosphoryl-(2,6-dimethylphenyl)methanone (PubChem CID 18400288) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is dibenzylphosphoryl-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Namedibenzylphosphoryl-(2,6-dimethylphenyl)methanone
PubChem CID18400288
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Namedibenzylphosphoryl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23O2P/c1-18-10-9-11-19(2)22(18)23(24)26(25,16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3
InChIKeyONMUQDRAUDMIMQ-UHFFFAOYSA-N
XLogP6.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 56.21
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

[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
benzyl 2-[(2,6-dimethylbenzoyl)-phenylphosphoryl]acetate
CID 151111199
(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
2-[benzyl(carboxymethyl)phosphoryl]acetic acid
CID 67745759
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
2,2-bis(dibenzylphosphoryl)propanoic acid
CID 23103485
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
[methyl(phenyl)phosphoryl] 2,6-dimethylbenzoate
CID 54401918
1-(2,6-dimethylphenyl)-2,3,3-triphenylprop-2-en-1-one
CID 67414749
3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoic acid
CID 141016753

Frequently Asked Questions

What is the IUPAC name of dibenzylphosphoryl-(2,6-dimethylphenyl)methanone?
The IUPAC name of dibenzylphosphoryl-(2,6-dimethylphenyl)methanone (CID 18400288) is dibenzylphosphoryl-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for dibenzylphosphoryl-(2,6-dimethylphenyl)methanone?
The canonical SMILES for dibenzylphosphoryl-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)P(=O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzylphosphoryl-(2,6-dimethylphenyl)methanone?
The InChIKey is ONMUQDRAUDMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c1-18-10-9-11-19(2)22(18)23(24)26(25,16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3.
What are the key properties of dibenzylphosphoryl-(2,6-dimethylphenyl)methanone?
dibenzylphosphoryl-(2,6-dimethylphenyl)methanone has a molecular weight of 362.41 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylphosphoryl-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18400288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).