[2-(N-phenylanilino)phenyl] dihydrogen phosphate

C18H16NO4P — CID 151980927

IUPAC[2-(N-phenylanilino)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO4P/c20-24(21,22)23-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,20,21,22)
InChIKeyUCQXOQZKIYRPIH-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.63
Rot. Bonds5

About [2-(N-phenylanilino)phenyl] dihydrogen phosphate

[2-(N-phenylanilino)phenyl] dihydrogen phosphate (PubChem CID 151980927) has the molecular formula C18H16NO4P and a molecular weight of 341.30 g/mol. Its IUPAC name is [2-(N-phenylanilino)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(N-phenylanilino)phenyl] dihydrogen phosphate
PubChem CID151980927
Molecular FormulaC18H16NO4P
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name[2-(N-phenylanilino)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO4P/c20-24(21,22)23-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,20,21,22)
InChIKeyUCQXOQZKIYRPIH-UHFFFAOYSA-N
XLogP4.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-2-phosphanyloxyaniline
CID 141338071
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
CID 139964589
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
2-butoxy-N,N-diphenylaniline
CID 154486534
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
CID 131875092
CID 131875092

Frequently Asked Questions

What is the IUPAC name of [2-(N-phenylanilino)phenyl] dihydrogen phosphate?
The IUPAC name of [2-(N-phenylanilino)phenyl] dihydrogen phosphate (CID 151980927) is [2-(N-phenylanilino)phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-(N-phenylanilino)phenyl] dihydrogen phosphate?
The canonical SMILES for [2-(N-phenylanilino)phenyl] dihydrogen phosphate is O=P(O)(O)Oc1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-phenylanilino)phenyl] dihydrogen phosphate?
The InChIKey is UCQXOQZKIYRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO4P/c20-24(21,22)23-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,20,21,22).
What are the key properties of [2-(N-phenylanilino)phenyl] dihydrogen phosphate?
[2-(N-phenylanilino)phenyl] dihydrogen phosphate has a molecular weight of 341.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-phenylanilino)phenyl] dihydrogen phosphate is sourced from PubChem (CID 151980927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).