1-(4-chlorophenyl)-2-diphenylphosphorylethanone

C20H16ClO2P — CID 102265043

IUPAC1-(4-chlorophenyl)-2-diphenylphosphorylethanone
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClO2P/c21-17-13-11-16(12-14-17)20(22)15-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyQNKQTUDXHFLEAL-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-chlorophenyl)-2-diphenylphosphorylethanone

1-(4-chlorophenyl)-2-diphenylphosphorylethanone (PubChem CID 102265043) has the molecular formula C20H16ClO2P and a molecular weight of 354.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-diphenylphosphorylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-diphenylphosphorylethanone
PubChem CID102265043
Molecular FormulaC20H16ClO2P
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name1-(4-chlorophenyl)-2-diphenylphosphorylethanone
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClO2P/c21-17-13-11-16(12-14-17)20(22)15-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyQNKQTUDXHFLEAL-UHFFFAOYSA-N
XLogP4.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-diphenylphosphorylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-diphenylphosphorylethanone (CID 102265043) is 1-(4-chlorophenyl)-2-diphenylphosphorylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-diphenylphosphorylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-diphenylphosphorylethanone is O=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-diphenylphosphorylethanone?
The InChIKey is QNKQTUDXHFLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClO2P/c21-17-13-11-16(12-14-17)20(22)15-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2.
What are the key properties of 1-(4-chlorophenyl)-2-diphenylphosphorylethanone?
1-(4-chlorophenyl)-2-diphenylphosphorylethanone has a molecular weight of 354.77 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-diphenylphosphorylethanone is sourced from PubChem (CID 102265043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).