(2-aminophenyl)methoxy-hydroxy-oxophosphanium

C7H9NO3P+ — CID 149178768

IUPAC(2-aminophenyl)methoxy-hydroxy-oxophosphanium
SMILESNc1ccccc1CO[P+](=O)O
InChIInChI=1S/C7H8NO3P/c8-7-4-2-1-3-6(7)5-11-12(9)10/h1-4H,5,8H2/p+1
InChIKeyWJQUFXXXFBUBIN-UHFFFAOYSA-O
MW186.13 g/mol
LogP1.44
Rot. Bonds3

About (2-aminophenyl)methoxy-hydroxy-oxophosphanium

(2-aminophenyl)methoxy-hydroxy-oxophosphanium (PubChem CID 149178768) has the molecular formula C7H9NO3P+ and a molecular weight of 186.13 g/mol. Its IUPAC name is (2-aminophenyl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-aminophenyl)methoxy-hydroxy-oxophosphanium
PubChem CID149178768
Molecular FormulaC7H9NO3P+
Molecular Weight186.13 g/mol
Exact Mass186.03
IUPAC Name(2-aminophenyl)methoxy-hydroxy-oxophosphanium
SMILESNc1ccccc1CO[P+](=O)O
InChIInChI=1S/C7H8NO3P/c8-7-4-2-1-3-6(7)5-11-12(9)10/h1-4H,5,8H2/p+1
InChIKeyWJQUFXXXFBUBIN-UHFFFAOYSA-O
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethoxy-hydroxy-oxophosphanium
CID 142804991
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
2-ethylaniline;sulfuric acid
CID 67820112
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium
CID 19822606
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
N-[(2-aminophenyl)methoxy]-2-ethylaniline
CID 154966075
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
2-(aminomethyl)aniline;hydrochloride
CID 69170371
(2-aminophenyl)methyloxidanium
CID 164683115

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of (2-aminophenyl)methoxy-hydroxy-oxophosphanium (CID 149178768) is (2-aminophenyl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for (2-aminophenyl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for (2-aminophenyl)methoxy-hydroxy-oxophosphanium is Nc1ccccc1CO[P+](=O)O.
What is the InChIKey of (2-aminophenyl)methoxy-hydroxy-oxophosphanium?
The InChIKey is WJQUFXXXFBUBIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8NO3P/c8-7-4-2-1-3-6(7)5-11-12(9)10/h1-4H,5,8H2/p+1.
What are the key properties of (2-aminophenyl)methoxy-hydroxy-oxophosphanium?
(2-aminophenyl)methoxy-hydroxy-oxophosphanium has a molecular weight of 186.13 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 149178768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).