phenyl dihydrogen phosphate

C6H7O4P — CID 12793

IUPACphenyl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyCMPQUABWPXYYSH-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.16
Rot. Bonds2

About phenyl dihydrogen phosphate

phenyl dihydrogen phosphate (PubChem CID 12793) has the molecular formula C6H7O4P and a molecular weight of 174.09 g/mol. Its IUPAC name is phenyl dihydrogen phosphate.

Molecular Properties

Compound Namephenyl dihydrogen phosphate
PubChem CID12793
Molecular FormulaC6H7O4P
Molecular Weight174.09 g/mol
Exact Mass174.01
IUPAC Namephenyl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1
InChIInChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyCMPQUABWPXYYSH-UHFFFAOYSA-N
XLogP1.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl dihydrogen phosphate?
The IUPAC name of phenyl dihydrogen phosphate (CID 12793) is phenyl dihydrogen phosphate.
What is the SMILES notation for phenyl dihydrogen phosphate?
The canonical SMILES for phenyl dihydrogen phosphate is O=P(O)(O)Oc1ccccc1.
What is the InChIKey of phenyl dihydrogen phosphate?
The InChIKey is CMPQUABWPXYYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9).
What are the key properties of phenyl dihydrogen phosphate?
phenyl dihydrogen phosphate has a molecular weight of 174.09 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl dihydrogen phosphate is sourced from PubChem (CID 12793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).