(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid

C3H7ClO5P- — CID 21362392

IUPAC(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid
SMILES[O-]OP(O)COC(O)CCl
InChIInChI=1S/C3H8ClO5P/c4-1-3(5)8-2-10(7)9-6/h3,5-7H,1-2H2/p-1
InChIKeyXLMKRJBVZRJYMJ-UHFFFAOYSA-M
MW189.51 g/mol
LogP-0.89
Rot. Bonds5

About (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid

(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid (PubChem CID 21362392) has the molecular formula C3H7ClO5P- and a molecular weight of 189.51 g/mol. Its IUPAC name is (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid.

Molecular Properties

Compound Name(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid
PubChem CID21362392
Molecular FormulaC3H7ClO5P-
Molecular Weight189.51 g/mol
Exact Mass188.97
IUPAC Name(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid
SMILES[O-]OP(O)COC(O)CCl
InChIInChI=1S/C3H8ClO5P/c4-1-3(5)8-2-10(7)9-6/h3,5-7H,1-2H2/p-1
InChIKeyXLMKRJBVZRJYMJ-UHFFFAOYSA-M
XLogP-0.89
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.51
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous 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

(2-chloro-1-hydroxyethoxy)methanesulfonate
CID 21362396
1,2-dichloroethyl dihydrogen phosphite
CID 57144706
(3-chloro-2-hydroxypropyl) hydroxy hydrogen phosphite
CID 59937036
alumane;1,2-dichloroethanol
CID 174606739
(1S,3R)-4-chloro-1,3-dimethoxybutan-1-ol
CID 97050424
(3-chloro-2-hydroxypropyl) nitrate
CID 10931674
3-chloro-1,1-dinitropropane-1,2-diol
CID 71411031
methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
CID 24857982
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830
1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
CID 112560865
1-chloro-3-(18F)fluoropropan-2-ol
CID 59622889

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid?
The IUPAC name of (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid (CID 21362392) is (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid.
What is the SMILES notation for (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid?
The canonical SMILES for (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid is [O-]OP(O)COC(O)CCl.
What is the InChIKey of (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid?
The InChIKey is XLMKRJBVZRJYMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8ClO5P/c4-1-3(5)8-2-10(7)9-6/h3,5-7H,1-2H2/p-1.
What are the key properties of (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid?
(2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid has a molecular weight of 189.51 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-hydroxyethoxy)methyl-oxidooxyphosphinous acid is sourced from PubChem (CID 21362392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).