phenyl (N-phenylanilino) hydrogen phosphate

C18H16NO4P — CID 140553969

IUPACphenyl (N-phenylanilino) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,20,21)
InChIKeyFXSQGBMXTSKCKY-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.94
Rot. Bonds6

About phenyl (N-phenylanilino) hydrogen phosphate

phenyl (N-phenylanilino) hydrogen phosphate (PubChem CID 140553969) has the molecular formula C18H16NO4P and a molecular weight of 341.30 g/mol. Its IUPAC name is phenyl (N-phenylanilino) hydrogen phosphate.

Molecular Properties

Compound Namephenyl (N-phenylanilino) hydrogen phosphate
PubChem CID140553969
Molecular FormulaC18H16NO4P
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Namephenyl (N-phenylanilino) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,20,21)
InChIKeyFXSQGBMXTSKCKY-UHFFFAOYSA-N
XLogP4.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
hydroxy phenyl hydrogen phosphate
CID 19103302
chloroform;diphenyl hydrogen phosphate
CID 174899919
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
methane;phenyl phosphono hydrogen phosphate
CID 88820079
phenoxy phenyl hydrogen phosphate
CID 172853202
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
(dicyclohexylamino) phenyl hydrogen phosphate
CID 23023270
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
CID 131875092
CID 131875092

Frequently Asked Questions

What is the IUPAC name of phenyl (N-phenylanilino) hydrogen phosphate?
The IUPAC name of phenyl (N-phenylanilino) hydrogen phosphate (CID 140553969) is phenyl (N-phenylanilino) hydrogen phosphate.
What is the SMILES notation for phenyl (N-phenylanilino) hydrogen phosphate?
The canonical SMILES for phenyl (N-phenylanilino) hydrogen phosphate is O=P(O)(Oc1ccccc1)ON(c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl (N-phenylanilino) hydrogen phosphate?
The InChIKey is FXSQGBMXTSKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,20,21).
What are the key properties of phenyl (N-phenylanilino) hydrogen phosphate?
phenyl (N-phenylanilino) hydrogen phosphate has a molecular weight of 341.30 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (N-phenylanilino) hydrogen phosphate is sourced from PubChem (CID 140553969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).