[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium

C2H7Cl2O6P2+ — CID 155107432

IUPAC[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium
SMILESCO[P+](O)(O)C(Cl)(Cl)P(=O)(O)O
InChIInChI=1S/C2H6Cl2O6P2/c1-10-12(8,9)2(3,4)11(5,6)7/h8-9H,1H3,(H-,5,6,7)/p+1
InChIKeyITJUGLIIKVYFEV-UHFFFAOYSA-O
MW259.93 g/mol
LogP0.65
Rot. Bonds3

About [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium

[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium (PubChem CID 155107432) has the molecular formula C2H7Cl2O6P2+ and a molecular weight of 259.93 g/mol. Its IUPAC name is [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium.

Molecular Properties

Compound Name[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium
PubChem CID155107432
Molecular FormulaC2H7Cl2O6P2+
Molecular Weight259.93 g/mol
Exact Mass258.91
IUPAC Name[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium
SMILESCO[P+](O)(O)C(Cl)(Cl)P(=O)(O)O
InChIInChI=1S/C2H6Cl2O6P2/c1-10-12(8,9)2(3,4)11(5,6)7/h8-9H,1H3,(H-,5,6,7)/p+1
InChIKeyITJUGLIIKVYFEV-UHFFFAOYSA-O
XLogP0.65
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.93
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
methyl hypochlorite;phosphoric acid
CID 175163315
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
[methoxy(phosphono)methyl]phosphonic acid
CID 12578053
[dichloro(phosphono)methyl]phosphonic acid;methanamine
CID 172784939
1,2,2,2-tetrachloro-1-methoxyethanol
CID 151039988
1,1,2-trichloropropyl dihydrogen phosphate
CID 3036981
carbanylium;methyl dihydrogen phosphate
CID 165007935
3-hydroxy-3-methoxy-2,2-dimethylpropanal
CID 123817001
trihydroxy-[hydroxy(methoxy)phosphoryl]carbonylphosphanium
CID 56626308
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
tert-butyl(methoxy)phosphinic acid
CID 14945264

Frequently Asked Questions

What is the IUPAC name of [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium?
The IUPAC name of [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium (CID 155107432) is [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium.
What is the SMILES notation for [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium?
The canonical SMILES for [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium is CO[P+](O)(O)C(Cl)(Cl)P(=O)(O)O.
What is the InChIKey of [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium?
The InChIKey is ITJUGLIIKVYFEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6Cl2O6P2/c1-10-12(8,9)2(3,4)11(5,6)7/h8-9H,1H3,(H-,5,6,7)/p+1.
What are the key properties of [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium?
[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium has a molecular weight of 259.93 g/mol, XLogP of 0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium is sourced from PubChem (CID 155107432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).