(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone

C26H26ClO3P — CID 18515173

IUPAC(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
SMILESCc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C26H26ClO3P/c1-15-11-10-14-22(27)23(15)25(28)31(30,21-12-8-7-9-13-21)26(29)24-19(5)17(3)16(2)18(4)20(24)6/h7-14H,1-6H3
InChIKeyVXDZUOIKMLOUFO-UHFFFAOYSA-N
MW452.92 g/mol
LogP6.86
Rot. Bonds5

About (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone

(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone (PubChem CID 18515173) has the molecular formula C26H26ClO3P and a molecular weight of 452.92 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
PubChem CID18515173
Molecular FormulaC26H26ClO3P
Molecular Weight452.92 g/mol
Exact Mass452.13
IUPAC Name(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
SMILESCc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C26H26ClO3P/c1-15-11-10-14-22(27)23(15)25(28)31(30,21-12-8-7-9-13-21)26(29)24-19(5)17(3)16(2)18(4)20(24)6/h7-14H,1-6H3
InChIKeyVXDZUOIKMLOUFO-UHFFFAOYSA-N
XLogP6.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.92
LogP ≤ 56.86
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

[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
CID 18514546
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
CID 18514326
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
(2-chloro-6-methylphenyl)-diphenylphosphorylmethanethione
CID 54557608
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
CID 141016789
propan-2-yl 3-[(2-chloro-6-methylbenzoyl)-phenylphosphoryl]propanoate
CID 172747267
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone?
The IUPAC name of (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone (CID 18515173) is (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone is Cc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1.
What is the InChIKey of (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone?
The InChIKey is VXDZUOIKMLOUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClO3P/c1-15-11-10-14-22(27)23(15)25(28)31(30,21-12-8-7-9-13-21)26(29)24-19(5)17(3)16(2)18(4)20(24)6/h7-14H,1-6H3.
What are the key properties of (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone?
(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone has a molecular weight of 452.92 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone is sourced from PubChem (CID 18515173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).