(4-hydroxyphenyl) dihydrogen phosphate

C6H7O5P — CID 573525

IUPAC(4-hydroxyphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C6H7O5P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H2,8,9,10)
InChIKeyISNQQCBTEWYZTH-UHFFFAOYSA-N
MW190.09 g/mol
LogP0.86
Rot. Bonds2

About (4-hydroxyphenyl) dihydrogen phosphate

(4-hydroxyphenyl) dihydrogen phosphate (PubChem CID 573525) has the molecular formula C6H7O5P and a molecular weight of 190.09 g/mol. Its IUPAC name is (4-hydroxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-hydroxyphenyl) dihydrogen phosphate
PubChem CID573525
Molecular FormulaC6H7O5P
Molecular Weight190.09 g/mol
Exact Mass190.00
IUPAC Name(4-hydroxyphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C6H7O5P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H2,8,9,10)
InChIKeyISNQQCBTEWYZTH-UHFFFAOYSA-N
XLogP0.86
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) dihydrogen phosphate?
The IUPAC name of (4-hydroxyphenyl) dihydrogen phosphate (CID 573525) is (4-hydroxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-hydroxyphenyl) dihydrogen phosphate?
The canonical SMILES for (4-hydroxyphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) dihydrogen phosphate?
The InChIKey is ISNQQCBTEWYZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O5P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H2,8,9,10).
What are the key properties of (4-hydroxyphenyl) dihydrogen phosphate?
(4-hydroxyphenyl) dihydrogen phosphate has a molecular weight of 190.09 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 573525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).