(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone

C26H17Cl2O3P — CID 90027519

IUPAC(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C26H17Cl2O3P/c27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyODRWLFROZPCDHH-UHFFFAOYSA-N
MW479.30 g/mol
LogP6.38
Rot. Bonds6

About (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone

(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone (PubChem CID 90027519) has the molecular formula C26H17Cl2O3P and a molecular weight of 479.30 g/mol. Its IUPAC name is (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone
PubChem CID90027519
Molecular FormulaC26H17Cl2O3P
Molecular Weight479.30 g/mol
Exact Mass478.03
IUPAC Name(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C26H17Cl2O3P/c27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyODRWLFROZPCDHH-UHFFFAOYSA-N
XLogP6.38
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.30
LogP ≤ 56.38
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

phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
CID 141016789
(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 159553468
(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
CID 22639250
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
(2,3-dichloro-6-fluorophenyl)-phenylmethanone
CID 171366473
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone
CID 175439396
bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
CID 18400312
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
diphenylphosphoryl-(2-ethenylphenyl)methanone
CID 22592682
2-(3-benzoyl-2-chlorophenyl)acetonitrile
CID 12909830

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone?
The IUPAC name of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone (CID 90027519) is (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone.
What is the SMILES notation for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone?
The canonical SMILES for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Cl)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone?
The InChIKey is ODRWLFROZPCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2O3P/c27-22-17-16-21(25(29)18-10-4-1-5-11-18)24(28)23(22)26(30)32(31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone?
(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone has a molecular weight of 479.30 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone is sourced from PubChem (CID 90027519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).