2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate

C8H11O6P — CID 139450592

IUPAC2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
SMILESO=P(O)(OCCO)Oc1ccccc1O
InChIInChI=1S/C8H11O6P/c9-5-6-13-15(11,12)14-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2,(H,11,12)
InChIKeyQRXVEXYKTKDVRE-UHFFFAOYSA-N
MW234.14 g/mol
LogP0.88
Rot. Bonds5

About 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate

2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate (PubChem CID 139450592) has the molecular formula C8H11O6P and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate.

Molecular Properties

Compound Name2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
PubChem CID139450592
Molecular FormulaC8H11O6P
Molecular Weight234.14 g/mol
Exact Mass234.03
IUPAC Name2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
SMILESO=P(O)(OCCO)Oc1ccccc1O
InChIInChI=1S/C8H11O6P/c9-5-6-13-15(11,12)14-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2,(H,11,12)
InChIKeyQRXVEXYKTKDVRE-UHFFFAOYSA-N
XLogP0.88
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
CID 170686959
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 19380802
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
2-[bis(2-hydroxyethyl)amino]ethanol;bis(2-methoxyphenyl) hydrogen phosphate
CID 134108945
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate
CID 174504709
[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate
CID 139986855
2-(diphenylphosphorylmethoxy)phenol
CID 13354416
(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
CID 141214958
4,4-dihydroxybutyl phenyl hydrogen phosphate
CID 175686334
hexyl phenyl hydrogen phosphate
CID 66863526

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate?
The IUPAC name of 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate (CID 139450592) is 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate.
What is the SMILES notation for 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate?
The canonical SMILES for 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate is O=P(O)(OCCO)Oc1ccccc1O.
What is the InChIKey of 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate?
The InChIKey is QRXVEXYKTKDVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O6P/c9-5-6-13-15(11,12)14-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2,(H,11,12).
What are the key properties of 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate?
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate has a molecular weight of 234.14 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate is sourced from PubChem (CID 139450592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).