(4-chlorophenyl) phenyl phosphate

C12H9ClO4P- — CID 71363636

IUPAC(4-chlorophenyl) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClO4P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)/p-1
InChIKeyKLIQVCLTGXUPHY-UHFFFAOYSA-M
MW283.63 g/mol
LogP3.27
Rot. Bonds4

About (4-chlorophenyl) phenyl phosphate

(4-chlorophenyl) phenyl phosphate (PubChem CID 71363636) has the molecular formula C12H9ClO4P- and a molecular weight of 283.63 g/mol. Its IUPAC name is (4-chlorophenyl) phenyl phosphate.

Molecular Properties

Compound Name(4-chlorophenyl) phenyl phosphate
PubChem CID71363636
Molecular FormulaC12H9ClO4P-
Molecular Weight283.63 g/mol
Exact Mass282.99
IUPAC Name(4-chlorophenyl) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClO4P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)/p-1
InChIKeyKLIQVCLTGXUPHY-UHFFFAOYSA-M
XLogP3.27
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
chloro(phenoxy)phosphinate
CID 71354399
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
phenyl (2-phenylphenyl) phosphate
CID 22709121
(2,3-dihydroxyphenyl) phenyl phosphate
CID 22456918
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
sodium [4-[3-(4-fluorophenyl)propyl]phenyl] phenyl phosphate
CID 23696505
(2,3-dimethylphenyl) phenyl phosphate
CID 21201140

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) phenyl phosphate?
The IUPAC name of (4-chlorophenyl) phenyl phosphate (CID 71363636) is (4-chlorophenyl) phenyl phosphate.
What is the SMILES notation for (4-chlorophenyl) phenyl phosphate?
The canonical SMILES for (4-chlorophenyl) phenyl phosphate is O=P([O-])(Oc1ccccc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) phenyl phosphate?
The InChIKey is KLIQVCLTGXUPHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10ClO4P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)/p-1.
What are the key properties of (4-chlorophenyl) phenyl phosphate?
(4-chlorophenyl) phenyl phosphate has a molecular weight of 283.63 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) phenyl phosphate is sourced from PubChem (CID 71363636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).