phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone

C27H29O3P — CID 141015886

IUPACphenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone
SMILESCc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2c(C)c(C)cc(C)c2C)c(C)c1C
InChIInChI=1S/C27H29O3P/c1-16-13-14-24(22(7)19(16)4)31(30,26(28)23-11-9-8-10-12-23)27(29)25-20(5)17(2)15-18(3)21(25)6/h8-15H,1-7H3
InChIKeyJPQPOTLLRSIDKU-UHFFFAOYSA-N
MW432.50 g/mol
LogP6.51
Rot. Bonds5

About phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone

phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone (PubChem CID 141015886) has the molecular formula C27H29O3P and a molecular weight of 432.50 g/mol. Its IUPAC name is phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone.

Molecular Properties

Compound Namephenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone
PubChem CID141015886
Molecular FormulaC27H29O3P
Molecular Weight432.50 g/mol
Exact Mass432.19
IUPAC Namephenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone
SMILESCc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2c(C)c(C)cc(C)c2C)c(C)c1C
InChIInChI=1S/C27H29O3P/c1-16-13-14-24(22(7)19(16)4)31(30,26(28)23-11-9-8-10-12-23)27(29)25-20(5)17(2)15-18(3)21(25)6/h8-15H,1-7H3
InChIKeyJPQPOTLLRSIDKU-UHFFFAOYSA-N
XLogP6.51
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(benzoyl-(2,3,4-trimethylphenyl)phosphinate);titanium(4+)
CID 140650949
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
CID 18514326
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone
CID 141198193
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
[methoxy-(2-methylphenyl)phosphoryl]-phenylmethanone
CID 154332430
(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
2-chloro-1-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]ethanone
CID 140903554
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone?
The IUPAC name of phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone (CID 141015886) is phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone.
What is the SMILES notation for phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone?
The canonical SMILES for phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone is Cc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2c(C)c(C)cc(C)c2C)c(C)c1C.
What is the InChIKey of phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone?
The InChIKey is JPQPOTLLRSIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29O3P/c1-16-13-14-24(22(7)19(16)4)31(30,26(28)23-11-9-8-10-12-23)27(29)25-20(5)17(2)15-18(3)21(25)6/h8-15H,1-7H3.
What are the key properties of phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone?
phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone has a molecular weight of 432.50 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone is sourced from PubChem (CID 141015886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).