[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

C21H25O2P — CID 59218785

IUPAC[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(C)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H25O2P/c1-12-8-14(3)18(15(4)9-12)20(22)24(7)21(23)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3
InChIKeyBRDHZKNGAPYTIL-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.63
Rot. Bonds4

About [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 59218785) has the molecular formula C21H25O2P and a molecular weight of 340.40 g/mol. Its IUPAC name is [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID59218785
Molecular FormulaC21H25O2P
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(C)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H25O2P/c1-12-8-14(3)18(15(4)9-12)20(22)24(7)21(23)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3
InChIKeyBRDHZKNGAPYTIL-UHFFFAOYSA-N
XLogP5.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 123930266
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
CID 140911137
CID 140911137
[oxiran-2-ylmethyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218771
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689

Frequently Asked Questions

What is the IUPAC name of [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (CID 59218785) is [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(C)C(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is BRDHZKNGAPYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25O2P/c1-12-8-14(3)18(15(4)9-12)20(22)24(7)21(23)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3.
What are the key properties of [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 340.40 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 59218785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).