2-aminophenol;phenyl dihydrogen phosphate

C12H14NO5P — CID 158038709

IUPAC2-aminophenol;phenyl dihydrogen phosphate
SMILESNc1ccccc1O.O=P(O)(O)Oc1ccccc1
InChIInChI=1S/C6H7NO.C6H7O4P/c7-5-3-1-2-4-6(5)8;7-11(8,9)10-6-4-2-1-3-5-6/h1-4,8H,7H2;1-5H,(H2,7,8,9)
InChIKeyFIBVTNIUHRUSEV-UHFFFAOYSA-N
MW283.22 g/mol
LogP2.13
Rot. Bonds2

About 2-aminophenol;phenyl dihydrogen phosphate

2-aminophenol;phenyl dihydrogen phosphate (PubChem CID 158038709) has the molecular formula C12H14NO5P and a molecular weight of 283.22 g/mol. Its IUPAC name is 2-aminophenol;phenyl dihydrogen phosphate.

Molecular Properties

Compound Name2-aminophenol;phenyl dihydrogen phosphate
PubChem CID158038709
Molecular FormulaC12H14NO5P
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name2-aminophenol;phenyl dihydrogen phosphate
SMILESNc1ccccc1O.O=P(O)(O)Oc1ccccc1
InChIInChI=1S/C6H7NO.C6H7O4P/c7-5-3-1-2-4-6(5)8;7-11(8,9)10-6-4-2-1-3-5-6/h1-4,8H,7H2;1-5H,(H2,7,8,9)
InChIKeyFIBVTNIUHRUSEV-UHFFFAOYSA-N
XLogP2.13
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131875092
CID 131875092
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
CID 6398139
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
cesium phenyl hydrogen phosphate
CID 175568082
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
diphenyl hydrogen phosphate;silane
CID 175425543
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;phenyl dihydrogen phosphate?
The IUPAC name of 2-aminophenol;phenyl dihydrogen phosphate (CID 158038709) is 2-aminophenol;phenyl dihydrogen phosphate.
What is the SMILES notation for 2-aminophenol;phenyl dihydrogen phosphate?
The canonical SMILES for 2-aminophenol;phenyl dihydrogen phosphate is Nc1ccccc1O.O=P(O)(O)Oc1ccccc1.
What is the InChIKey of 2-aminophenol;phenyl dihydrogen phosphate?
The InChIKey is FIBVTNIUHRUSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C6H7O4P/c7-5-3-1-2-4-6(5)8;7-11(8,9)10-6-4-2-1-3-5-6/h1-4,8H,7H2;1-5H,(H2,7,8,9).
What are the key properties of 2-aminophenol;phenyl dihydrogen phosphate?
2-aminophenol;phenyl dihydrogen phosphate has a molecular weight of 283.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;phenyl dihydrogen phosphate is sourced from PubChem (CID 158038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).