[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid

C3H10O4P2 — CID 12654621

IUPAC[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
SMILESCP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C3H10O4P2/c1-8(4,5)3-9(2,6)7/h3H2,1-2H3,(H,4,5)(H,6,7)
InChIKeyMQZDICKJXCQYIN-UHFFFAOYSA-N
MW172.06 g/mol
LogP0.74
Rot. Bonds2

About [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid

[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid (PubChem CID 12654621) has the molecular formula C3H10O4P2 and a molecular weight of 172.06 g/mol. Its IUPAC name is [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
PubChem CID12654621
Molecular FormulaC3H10O4P2
Molecular Weight172.06 g/mol
Exact Mass172.01
IUPAC Name[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
SMILESCP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C3H10O4P2/c1-8(4,5)3-9(2,6)7/h3H2,1-2H3,(H,4,5)(H,6,7)
InChIKeyMQZDICKJXCQYIN-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.06
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 20667852
sodium;carbanide;methylphosphonic acid
CID 157106296
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
dimethylphosphinic acid;ethene
CID 159258868
bis(dimethylphosphinic acid);platinum
CID 58918492
methylphosphonic acid;uranium
CID 174844261
methylphosphonic acid;dihydrochloride
CID 87344491
methyl(propyl)phosphinic acid
CID 10992780
2-bromoethyl(methyl)phosphinic acid
CID 15783673
fluoro-[[fluoro(methyl)phosphoryl]methyl]phosphinic acid
CID 21041038
ethane-1,2-diamine;methylphosphonic acid
CID 19349473

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The IUPAC name of [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid (CID 12654621) is [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid.
What is the SMILES notation for [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The canonical SMILES for [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid is CP(=O)(O)CP(C)(=O)O.
What is the InChIKey of [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The InChIKey is MQZDICKJXCQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O4P2/c1-8(4,5)3-9(2,6)7/h3H2,1-2H3,(H,4,5)(H,6,7).
What are the key properties of [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid?
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid has a molecular weight of 172.06 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid is sourced from PubChem (CID 12654621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).