(2-formylphenyl) dihydrogen phosphate

C7H7O5P — CID 5287463

IUPAC(2-formylphenyl) dihydrogen phosphate
SMILESO=Cc1ccccc1OP(=O)(O)O
InChIInChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
InChIKeyBYNSFVCWJXZPOW-UHFFFAOYSA-N
MW202.10 g/mol
LogP0.97
Rot. Bonds3

About (2-formylphenyl) dihydrogen phosphate

(2-formylphenyl) dihydrogen phosphate (PubChem CID 5287463) has the molecular formula C7H7O5P and a molecular weight of 202.10 g/mol. Its IUPAC name is (2-formylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-formylphenyl) dihydrogen phosphate
PubChem CID5287463
Molecular FormulaC7H7O5P
Molecular Weight202.10 g/mol
Exact Mass202.00
IUPAC Name(2-formylphenyl) dihydrogen phosphate
SMILESO=Cc1ccccc1OP(=O)(O)O
InChIInChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
InChIKeyBYNSFVCWJXZPOW-UHFFFAOYSA-N
XLogP0.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl) dihydrogen phosphate?
The IUPAC name of (2-formylphenyl) dihydrogen phosphate (CID 5287463) is (2-formylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-formylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-formylphenyl) dihydrogen phosphate is O=Cc1ccccc1OP(=O)(O)O.
What is the InChIKey of (2-formylphenyl) dihydrogen phosphate?
The InChIKey is BYNSFVCWJXZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11).
What are the key properties of (2-formylphenyl) dihydrogen phosphate?
(2-formylphenyl) dihydrogen phosphate has a molecular weight of 202.10 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl) dihydrogen phosphate is sourced from PubChem (CID 5287463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).