(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone

C25H24ClO5P — CID 18514546

IUPAC(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
SMILESCCOc1cccc(OCC)c1C(=O)P(=O)(C(=O)c1c(C)cccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClO5P/c1-4-30-20-15-10-16-21(31-5-2)23(20)25(28)32(29,18-12-7-6-8-13-18)24(27)22-17(3)11-9-14-19(22)26/h6-16H,4-5H2,1-3H3
InChIKeyURELWLRGMLYAJQ-UHFFFAOYSA-N
MW470.89 g/mol
LogP6.12
Rot. Bonds9

About (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone

(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone (PubChem CID 18514546) has the molecular formula C25H24ClO5P and a molecular weight of 470.89 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
PubChem CID18514546
Molecular FormulaC25H24ClO5P
Molecular Weight470.89 g/mol
Exact Mass470.10
IUPAC Name(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
SMILESCCOc1cccc(OCC)c1C(=O)P(=O)(C(=O)c1c(C)cccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClO5P/c1-4-30-20-15-10-16-21(31-5-2)23(20)25(28)32(29,18-12-7-6-8-13-18)24(27)22-17(3)11-9-14-19(22)26/h6-16H,4-5H2,1-3H3
InChIKeyURELWLRGMLYAJQ-UHFFFAOYSA-N
XLogP6.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
propan-2-yl 3-[(2-chloro-6-methylbenzoyl)-phenylphosphoryl]propanoate
CID 172747267
(2-chloro-6-methylphenyl)-diphenylphosphorylmethanethione
CID 54557608
phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
CID 141016789
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone?
The IUPAC name of (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone (CID 18514546) is (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone is CCOc1cccc(OCC)c1C(=O)P(=O)(C(=O)c1c(C)cccc1Cl)c1ccccc1.
What is the InChIKey of (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone?
The InChIKey is URELWLRGMLYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClO5P/c1-4-30-20-15-10-16-21(31-5-2)23(20)25(28)32(29,18-12-7-6-8-13-18)24(27)22-17(3)11-9-14-19(22)26/h6-16H,4-5H2,1-3H3.
What are the key properties of (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone?
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone has a molecular weight of 470.89 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone is sourced from PubChem (CID 18514546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).