benzoyl phenyl phosphate

C13H10O5P- — CID 21138904

IUPACbenzoyl phenyl phosphate
SMILESO=C(OP(=O)([O-])Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O5P/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12/h1-10H,(H,15,16)/p-1
InChIKeyJNCNXDWQSRRMHZ-UHFFFAOYSA-M
MW277.19 g/mol
LogP2.39
Rot. Bonds4

About benzoyl phenyl phosphate

benzoyl phenyl phosphate (PubChem CID 21138904) has the molecular formula C13H10O5P- and a molecular weight of 277.19 g/mol. Its IUPAC name is benzoyl phenyl phosphate.

Molecular Properties

Compound Namebenzoyl phenyl phosphate
PubChem CID21138904
Molecular FormulaC13H10O5P-
Molecular Weight277.19 g/mol
Exact Mass277.03
IUPAC Namebenzoyl phenyl phosphate
SMILESO=C(OP(=O)([O-])Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O5P/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12/h1-10H,(H,15,16)/p-1
InChIKeyJNCNXDWQSRRMHZ-UHFFFAOYSA-M
XLogP2.39
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.39
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

potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
disodium;benzoyloxy-[[benzoyloxy(oxido)phosphoryl]-dichloromethyl]phosphinate
CID 10458523
azane;phosphono benzoate
CID 174881549
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
diphenoxyphosphoryl 4-ethylbenzoate
CID 175366295
cesium phenyl hydrogen phosphate
CID 175568082
(4-chlorophenyl) phenyl phosphate
CID 71363636
diphenoxyphosphoryl 4-propylbenzoate
CID 175195259
[hydroxy-(4-propan-2-ylphenoxy)phosphoryl] benzoate
CID 175426192
CID 19766641
CID 19766641

Frequently Asked Questions

What is the IUPAC name of benzoyl phenyl phosphate?
The IUPAC name of benzoyl phenyl phosphate (CID 21138904) is benzoyl phenyl phosphate.
What is the SMILES notation for benzoyl phenyl phosphate?
The canonical SMILES for benzoyl phenyl phosphate is O=C(OP(=O)([O-])Oc1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl phenyl phosphate?
The InChIKey is JNCNXDWQSRRMHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11O5P/c14-13(11-7-3-1-4-8-11)18-19(15,16)17-12-9-5-2-6-10-12/h1-10H,(H,15,16)/p-1.
What are the key properties of benzoyl phenyl phosphate?
benzoyl phenyl phosphate has a molecular weight of 277.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl phenyl phosphate is sourced from PubChem (CID 21138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).