4-(diphenylphosphorylamino)phenol

C18H16NO2P — CID 21072103

IUPAC4-(diphenylphosphorylamino)phenol
SMILESO=P(Nc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO2P/c20-16-13-11-15(12-14-16)19-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,(H,19,21)
InChIKeyOHNCZNGIQWQBJF-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.73
Rot. Bonds4

About 4-(diphenylphosphorylamino)phenol

4-(diphenylphosphorylamino)phenol (PubChem CID 21072103) has the molecular formula C18H16NO2P and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-(diphenylphosphorylamino)phenol.

Molecular Properties

Compound Name4-(diphenylphosphorylamino)phenol
PubChem CID21072103
Molecular FormulaC18H16NO2P
Molecular Weight309.31 g/mol
Exact Mass309.09
IUPAC Name4-(diphenylphosphorylamino)phenol
SMILESO=P(Nc1ccc(O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO2P/c20-16-13-11-15(12-14-16)19-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,(H,19,21)
InChIKeyOHNCZNGIQWQBJF-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(diphenylphosphorylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline
CID 17139379
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
phenol;phosphoric acid
CID 157339539
4-[bis(ethylamino)phosphorylamino]phenol
CID 57317861
CID 67496590
CID 67496590
molybdenum;phenol
CID 154246724
4-bis(4-phenoxyphenyl)phosphorylphenol
CID 22491596
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741

Frequently Asked Questions

What is the IUPAC name of 4-(diphenylphosphorylamino)phenol?
The IUPAC name of 4-(diphenylphosphorylamino)phenol (CID 21072103) is 4-(diphenylphosphorylamino)phenol.
What is the SMILES notation for 4-(diphenylphosphorylamino)phenol?
The canonical SMILES for 4-(diphenylphosphorylamino)phenol is O=P(Nc1ccc(O)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(diphenylphosphorylamino)phenol?
The InChIKey is OHNCZNGIQWQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2P/c20-16-13-11-15(12-14-16)19-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,(H,19,21).
What are the key properties of 4-(diphenylphosphorylamino)phenol?
4-(diphenylphosphorylamino)phenol has a molecular weight of 309.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diphenylphosphorylamino)phenol is sourced from PubChem (CID 21072103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).