(2,6-dichlorophenyl)-diphenylphosphorylmethanone

C19H13Cl2O2P — CID 10981649

IUPAC(2,6-dichlorophenyl)-diphenylphosphorylmethanone
SMILESO=C(c1c(Cl)cccc1Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H13Cl2O2P/c20-16-12-7-13-17(21)18(16)19(22)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyJLLAWIKMLAQZCZ-UHFFFAOYSA-N
MW375.19 g/mol
LogP5.15
Rot. Bonds4

About (2,6-dichlorophenyl)-diphenylphosphorylmethanone

(2,6-dichlorophenyl)-diphenylphosphorylmethanone (PubChem CID 10981649) has the molecular formula C19H13Cl2O2P and a molecular weight of 375.19 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-diphenylphosphorylmethanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-diphenylphosphorylmethanone
PubChem CID10981649
Molecular FormulaC19H13Cl2O2P
Molecular Weight375.19 g/mol
Exact Mass374.00
IUPAC Name(2,6-dichlorophenyl)-diphenylphosphorylmethanone
SMILESO=C(c1c(Cl)cccc1Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H13Cl2O2P/c20-16-12-7-13-17(21)18(16)19(22)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyJLLAWIKMLAQZCZ-UHFFFAOYSA-N
XLogP5.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.19
LogP ≤ 55.15
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 (2,6-dichlorophenyl)-diphenylphosphorylmethanone?
The IUPAC name of (2,6-dichlorophenyl)-diphenylphosphorylmethanone (CID 10981649) is (2,6-dichlorophenyl)-diphenylphosphorylmethanone.
What is the SMILES notation for (2,6-dichlorophenyl)-diphenylphosphorylmethanone?
The canonical SMILES for (2,6-dichlorophenyl)-diphenylphosphorylmethanone is O=C(c1c(Cl)cccc1Cl)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,6-dichlorophenyl)-diphenylphosphorylmethanone?
The InChIKey is JLLAWIKMLAQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2O2P/c20-16-12-7-13-17(21)18(16)19(22)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of (2,6-dichlorophenyl)-diphenylphosphorylmethanone?
(2,6-dichlorophenyl)-diphenylphosphorylmethanone has a molecular weight of 375.19 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-diphenylphosphorylmethanone is sourced from PubChem (CID 10981649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).