aniline;hydroxy-oxo-phenylphosphanium

C12H13NO2P+ — CID 12791082

IUPACaniline;hydroxy-oxo-phenylphosphanium
SMILESNc1ccccc1.O=[P+](O)c1ccccc1
InChIInChI=1S/C6H7N.C6H5O2P/c7-6-4-2-1-3-5-6;7-9(8)6-4-2-1-3-5-6/h1-5H,7H2;1-5H/p+1
InChIKeyUTUAQPRPWDOIFF-UHFFFAOYSA-O
MW234.22 g/mol
LogP2.32
Rot. Bonds1

About aniline;hydroxy-oxo-phenylphosphanium

aniline;hydroxy-oxo-phenylphosphanium (PubChem CID 12791082) has the molecular formula C12H13NO2P+ and a molecular weight of 234.22 g/mol. Its IUPAC name is aniline;hydroxy-oxo-phenylphosphanium.

Molecular Properties

Compound Nameaniline;hydroxy-oxo-phenylphosphanium
PubChem CID12791082
Molecular FormulaC12H13NO2P+
Molecular Weight234.22 g/mol
Exact Mass234.07
IUPAC Nameaniline;hydroxy-oxo-phenylphosphanium
SMILESNc1ccccc1.O=[P+](O)c1ccccc1
InChIInChI=1S/C6H7N.C6H5O2P/c7-6-4-2-1-3-5-6;7-9(8)6-4-2-1-3-5-6/h1-5H,7H2;1-5H/p+1
InChIKeyUTUAQPRPWDOIFF-UHFFFAOYSA-O
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
hydroxy-oxo-(4-phenylphenyl)phosphanium
CID 19796179
aniline;methanol
CID 140536335
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;mercury
CID 54604260
aniline;niobium
CID 161015220
sodium;aniline;carbonic acid;hydride
CID 175280477
tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
CID 173147544
aniline;formaldehyde;urea
CID 68656751

Frequently Asked Questions

What is the IUPAC name of aniline;hydroxy-oxo-phenylphosphanium?
The IUPAC name of aniline;hydroxy-oxo-phenylphosphanium (CID 12791082) is aniline;hydroxy-oxo-phenylphosphanium.
What is the SMILES notation for aniline;hydroxy-oxo-phenylphosphanium?
The canonical SMILES for aniline;hydroxy-oxo-phenylphosphanium is Nc1ccccc1.O=[P+](O)c1ccccc1.
What is the InChIKey of aniline;hydroxy-oxo-phenylphosphanium?
The InChIKey is UTUAQPRPWDOIFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N.C6H5O2P/c7-6-4-2-1-3-5-6;7-9(8)6-4-2-1-3-5-6/h1-5H,7H2;1-5H/p+1.
What are the key properties of aniline;hydroxy-oxo-phenylphosphanium?
aniline;hydroxy-oxo-phenylphosphanium has a molecular weight of 234.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;hydroxy-oxo-phenylphosphanium is sourced from PubChem (CID 12791082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).