2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid

C8H12O7P2 — CID 156695434

IUPAC2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C8H12O7P2/c9-7-1-3-8(4-2-7)15-17(13,14)6-5-16(10,11)12/h1-4,9H,5-6H2,(H,13,14)(H2,10,11,12)
InChIKeyGFFNPGXEGLOGCT-UHFFFAOYSA-N
MW282.12 g/mol
LogP1.13
Rot. Bonds5

About 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid

2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid (PubChem CID 156695434) has the molecular formula C8H12O7P2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid
PubChem CID156695434
Molecular FormulaC8H12O7P2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(O)Oc1ccc(O)cc1
InChIInChI=1S/C8H12O7P2/c9-7-1-3-8(4-2-7)15-17(13,14)6-5-16(10,11)12/h1-4,9H,5-6H2,(H,13,14)(H2,10,11,12)
InChIKeyGFFNPGXEGLOGCT-UHFFFAOYSA-N
XLogP1.13
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
benzene-1,4-diol;phosphoric acid
CID 87092335
4-[(4-hydroxyphenoxy)-prop-2-enylphosphoryl]oxyphenol
CID 88768896
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
benzyl(phenoxy)phosphinic acid
CID 54071062
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
phenoxy(undecyl)phosphinic acid
CID 87383274
[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid
CID 87619380
[4-[(Z)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
CID 3034369
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid?
The IUPAC name of 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid (CID 156695434) is 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid.
What is the SMILES notation for 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid?
The canonical SMILES for 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid is O=P(O)(O)CCP(=O)(O)Oc1ccc(O)cc1.
What is the InChIKey of 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid?
The InChIKey is GFFNPGXEGLOGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O7P2/c9-7-1-3-8(4-2-7)15-17(13,14)6-5-16(10,11)12/h1-4,9H,5-6H2,(H,13,14)(H2,10,11,12).
What are the key properties of 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid?
2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid has a molecular weight of 282.12 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid is sourced from PubChem (CID 156695434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).