butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid

C12H20O6P2 — CID 87905295

IUPACbutan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)(O)P(=O)(O)c1ccccc1
InChIInChI=1S/C12H20O6P2/c1-4-10(2)18-20(16,17)12(3,13)19(14,15)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRTKCAMFJJWBFIY-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.25
Rot. Bonds6

About butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid

butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid (PubChem CID 87905295) has the molecular formula C12H20O6P2 and a molecular weight of 322.23 g/mol. Its IUPAC name is butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
PubChem CID87905295
Molecular FormulaC12H20O6P2
Molecular Weight322.23 g/mol
Exact Mass322.07
IUPAC Namebutan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)C(C)(O)P(=O)(O)c1ccccc1
InChIInChI=1S/C12H20O6P2/c1-4-10(2)18-20(16,17)12(3,13)19(14,15)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRTKCAMFJJWBFIY-UHFFFAOYSA-N
XLogP2.25
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic 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

[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
CID 141334363
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
butan-2-yloxy-[[3-(ethylamino)phenyl]-difluoromethyl]phosphinic acid
CID 87136258
[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
CID 87221118
phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
CID 12869475
[(4-diphenylphosphoryloxy-3,3-dimethylpentan-2-yl)oxy-phenylphosphoryl]benzene
CID 90416172
2-nitropropan-2-yl(phenyl)phosphinic acid
CID 71392637
1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
CID 14928098
butan-2-yloxy-[1-(phenylcarbamothioylamino)propyl]phosphinic acid
CID 88820205
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
CID 173322636

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid (CID 87905295) is butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid is CCC(C)OP(=O)(O)C(C)(O)P(=O)(O)c1ccccc1.
What is the InChIKey of butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid?
The InChIKey is RTKCAMFJJWBFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6P2/c1-4-10(2)18-20(16,17)12(3,13)19(14,15)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid?
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid has a molecular weight of 322.23 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid is sourced from PubChem (CID 87905295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).