hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium

C11H15NO5P+ — CID 67239351

IUPAChydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium
SMILESCCC(CC)(O[P+](=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14NO5P/c1-3-11(4-2,17-18(15)16)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3/p+1
InChIKeyAUVUHKYNJKYEJI-UHFFFAOYSA-O
MW272.22 g/mol
LogP3.28
Rot. Bonds6

About hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium

hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium (PubChem CID 67239351) has the molecular formula C11H15NO5P+ and a molecular weight of 272.22 g/mol. Its IUPAC name is hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium
PubChem CID67239351
Molecular FormulaC11H15NO5P+
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Namehydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium
SMILESCCC(CC)(O[P+](=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14NO5P/c1-3-11(4-2,17-18(15)16)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3/p+1
InChIKeyAUVUHKYNJKYEJI-UHFFFAOYSA-O
XLogP3.28
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-(4-ethoxycarbonylphenyl)pentan-3-yloxy-hydroxy-oxophosphanium
CID 139972252
1-[3,4-diethyl-4-(4-nitrophenyl)hexan-3-yl]-4-nitrobenzene
CID 14740493
2-ethyl-2-(4-nitrophenyl)butanenitrile
CID 67546505
1-nitro-4-(triethoxymethyl)benzene
CID 12720176
2-methyl-2-(4-nitrophenyl)butanoyl chloride
CID 117047860
1-[2-methyl-1-[2-methyl-2-(4-nitrophenyl)butoxy]butan-2-yl]-4-nitrobenzene
CID 57114959
[2-(carbamoyloxymethyl)-2-(4-nitrophenyl)butyl] carbamate
CID 125479618
2-amino-2-(4-nitrophenyl)propan-1-ol
CID 55268506
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
3-[(4-nitroanilino)methyl]pentan-3-ol
CID 62060213
1-[1-hydroxy-1-(4-nitrophenoxy)propoxy]-1-(4-nitrophenoxy)propan-1-ol
CID 88789772
1-(1,1-dibromobut-1-en-2-yl)-4-nitrobenzene
CID 129137304

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium?
The IUPAC name of hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium (CID 67239351) is hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium?
The canonical SMILES for hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium is CCC(CC)(O[P+](=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium?
The InChIKey is AUVUHKYNJKYEJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14NO5P/c1-3-11(4-2,17-18(15)16)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3/p+1.
What are the key properties of hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium?
hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium has a molecular weight of 272.22 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(4-nitrophenyl)pentan-3-yloxy]-oxophosphanium is sourced from PubChem (CID 67239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).