(3-hydroxyphenoxy) dihydrogen phosphate

C6H7O6P — CID 150935561

IUPAC(3-hydroxyphenoxy) dihydrogen phosphate
SMILESO=P(O)(O)OOc1cccc(O)c1
InChIInChI=1S/C6H7O6P/c7-5-2-1-3-6(4-5)11-12-13(8,9)10/h1-4,7H,(H2,8,9,10)
InChIKeyLGYIGJITHPNDLR-UHFFFAOYSA-N
MW206.09 g/mol
LogP0.80
Rot. Bonds3

About (3-hydroxyphenoxy) dihydrogen phosphate

(3-hydroxyphenoxy) dihydrogen phosphate (PubChem CID 150935561) has the molecular formula C6H7O6P and a molecular weight of 206.09 g/mol. Its IUPAC name is (3-hydroxyphenoxy) dihydrogen phosphate.

Molecular Properties

Compound Name(3-hydroxyphenoxy) dihydrogen phosphate
PubChem CID150935561
Molecular FormulaC6H7O6P
Molecular Weight206.09 g/mol
Exact Mass206.00
IUPAC Name(3-hydroxyphenoxy) dihydrogen phosphate
SMILESO=P(O)(O)OOc1cccc(O)c1
InChIInChI=1S/C6H7O6P/c7-5-2-1-3-6(4-5)11-12-13(8,9)10/h1-4,7H,(H2,8,9,10)
InChIKeyLGYIGJITHPNDLR-UHFFFAOYSA-N
XLogP0.80
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-phenylperoxyphenol
CID 87446766
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
bis(benzene-1,3-diol);[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174668054
benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphoric acid
CID 66603395
benzene-1,3-diol;phosphane;phosphono dihydrogen phosphate
CID 174927128
3-(2,6-dimethylphenoxy)phenol;phosphoric acid
CID 175289306
2-methylprop-2-enoic acid;phenoxy dihydrogen phosphate
CID 161397603
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
CID 87675096
CID 87675096

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenoxy) dihydrogen phosphate?
The IUPAC name of (3-hydroxyphenoxy) dihydrogen phosphate (CID 150935561) is (3-hydroxyphenoxy) dihydrogen phosphate.
What is the SMILES notation for (3-hydroxyphenoxy) dihydrogen phosphate?
The canonical SMILES for (3-hydroxyphenoxy) dihydrogen phosphate is O=P(O)(O)OOc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenoxy) dihydrogen phosphate?
The InChIKey is LGYIGJITHPNDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O6P/c7-5-2-1-3-6(4-5)11-12-13(8,9)10/h1-4,7H,(H2,8,9,10).
What are the key properties of (3-hydroxyphenoxy) dihydrogen phosphate?
(3-hydroxyphenoxy) dihydrogen phosphate has a molecular weight of 206.09 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenoxy) dihydrogen phosphate is sourced from PubChem (CID 150935561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).