phosphanyl 3,5-dihydroxybenzoate

C7H7O4P — CID 67765668

IUPACphosphanyl 3,5-dihydroxybenzoate
SMILESO=C(OP)c1cc(O)cc(O)c1
InChIInChI=1S/C7H7O4P/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,8-9H,12H2
InChIKeyAYNADISPFWWJLR-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.04
Rot. Bonds1

About phosphanyl 3,5-dihydroxybenzoate

phosphanyl 3,5-dihydroxybenzoate (PubChem CID 67765668) has the molecular formula C7H7O4P and a molecular weight of 186.10 g/mol. Its IUPAC name is phosphanyl 3,5-dihydroxybenzoate.

Molecular Properties

Compound Namephosphanyl 3,5-dihydroxybenzoate
PubChem CID67765668
Molecular FormulaC7H7O4P
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Namephosphanyl 3,5-dihydroxybenzoate
SMILESO=C(OP)c1cc(O)cc(O)c1
InChIInChI=1S/C7H7O4P/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,8-9H,12H2
InChIKeyAYNADISPFWWJLR-UHFFFAOYSA-N
XLogP1.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanyl 3,5-dihydroxybenzoate?
The IUPAC name of phosphanyl 3,5-dihydroxybenzoate (CID 67765668) is phosphanyl 3,5-dihydroxybenzoate.
What is the SMILES notation for phosphanyl 3,5-dihydroxybenzoate?
The canonical SMILES for phosphanyl 3,5-dihydroxybenzoate is O=C(OP)c1cc(O)cc(O)c1.
What is the InChIKey of phosphanyl 3,5-dihydroxybenzoate?
The InChIKey is AYNADISPFWWJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O4P/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,8-9H,12H2.
What are the key properties of phosphanyl 3,5-dihydroxybenzoate?
phosphanyl 3,5-dihydroxybenzoate has a molecular weight of 186.10 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 3,5-dihydroxybenzoate is sourced from PubChem (CID 67765668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).