trihydroxy-(4-nitrophenoxy)phosphanium

C6H7NO6P+ — CID 70832943

IUPACtrihydroxy-(4-nitrophenoxy)phosphanium
SMILESO=[N+]([O-])c1ccc(O[P+](O)(O)O)cc1
InChIInChI=1S/C6H7NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,10-12H/q+1
InChIKeyCHYYLYWCWGGWCC-UHFFFAOYSA-N
MW220.10 g/mol
LogP0.63
Rot. Bonds3

About trihydroxy-(4-nitrophenoxy)phosphanium

trihydroxy-(4-nitrophenoxy)phosphanium (PubChem CID 70832943) has the molecular formula C6H7NO6P+ and a molecular weight of 220.10 g/mol. Its IUPAC name is trihydroxy-(4-nitrophenoxy)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(4-nitrophenoxy)phosphanium
PubChem CID70832943
Molecular FormulaC6H7NO6P+
Molecular Weight220.10 g/mol
Exact Mass220.00
IUPAC Nametrihydroxy-(4-nitrophenoxy)phosphanium
SMILESO=[N+]([O-])c1ccc(O[P+](O)(O)O)cc1
InChIInChI=1S/C6H7NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,10-12H/q+1
InChIKeyCHYYLYWCWGGWCC-UHFFFAOYSA-N
XLogP0.63
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trihydroxy-(4-nitrophenoxy)phosphanium 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

1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
1-benzhydryloxy-4-nitrobenzene
CID 7434051
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
bis(4-nitrophenyl)methanol
CID 12768612
CID 153008841
CID 153008841
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
sodium (4-nitrophenyl) carbonate
CID 172808838
(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol
CID 59730458
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(4-nitrophenoxy)phosphanium?
The IUPAC name of trihydroxy-(4-nitrophenoxy)phosphanium (CID 70832943) is trihydroxy-(4-nitrophenoxy)phosphanium.
What is the SMILES notation for trihydroxy-(4-nitrophenoxy)phosphanium?
The canonical SMILES for trihydroxy-(4-nitrophenoxy)phosphanium is O=[N+]([O-])c1ccc(O[P+](O)(O)O)cc1.
What is the InChIKey of trihydroxy-(4-nitrophenoxy)phosphanium?
The InChIKey is CHYYLYWCWGGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,10-12H/q+1.
What are the key properties of trihydroxy-(4-nitrophenoxy)phosphanium?
trihydroxy-(4-nitrophenoxy)phosphanium has a molecular weight of 220.10 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(4-nitrophenoxy)phosphanium is sourced from PubChem (CID 70832943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).