bis(3-chloro-2-hydroxypropyl) methyl phosphate

C7H15Cl2O6P — CID 167583670

IUPACbis(3-chloro-2-hydroxypropyl) methyl phosphate
SMILESCOP(=O)(OCC(O)CCl)OCC(O)CCl
InChIInChI=1S/C7H15Cl2O6P/c1-13-16(12,14-4-6(10)2-8)15-5-7(11)3-9/h6-7,10-11H,2-5H2,1H3
InChIKeyHMVVYBWQKFGXSX-UHFFFAOYSA-N
MW297.07 g/mol
LogP0.97
Rot. Bonds9

About bis(3-chloro-2-hydroxypropyl) methyl phosphate

bis(3-chloro-2-hydroxypropyl) methyl phosphate (PubChem CID 167583670) has the molecular formula C7H15Cl2O6P and a molecular weight of 297.07 g/mol. Its IUPAC name is bis(3-chloro-2-hydroxypropyl) methyl phosphate.

Molecular Properties

Compound Namebis(3-chloro-2-hydroxypropyl) methyl phosphate
PubChem CID167583670
Molecular FormulaC7H15Cl2O6P
Molecular Weight297.07 g/mol
Exact Mass296.00
IUPAC Namebis(3-chloro-2-hydroxypropyl) methyl phosphate
SMILESCOP(=O)(OCC(O)CCl)OCC(O)CCl
InChIInChI=1S/C7H15Cl2O6P/c1-13-16(12,14-4-6(10)2-8)15-5-7(11)3-9/h6-7,10-11H,2-5H2,1H3
InChIKeyHMVVYBWQKFGXSX-UHFFFAOYSA-N
XLogP0.97
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxydodecyl dimethyl phosphate
CID 10018272
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
[(3-chloro-2-hydroxypropoxy)-hydroxyphosphoryl] 2-methylprop-2-enoate
CID 87407373
chloromethyl dimethyl phosphate
CID 88544336
chloro methyl 2-methylpropyl phosphate
CID 118608255
[(2R)-2,3-dihydroxypropyl] diethyl phosphate
CID 101018748
(3-chloro-2-hydroxypropyl) nitrate
CID 10931674
[(2R)-3-dimethoxyphosphoryloxy-2-hydroxypropyl] hexadecanoate
CID 66572937
2,3-dihydroxypropyl methyl 5-oxodocosyl phosphate
CID 167279667
1-chloro-3-methoxyphosphanyloxypropan-2-ol
CID 88908247
sodium (3-chloro-2-hydroxypropyl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorododecyl phosphate
CID 88619740
dimethyl (2,3,4,5-tetrahydroxy-6-oxohexyl) phosphate
CID 58974542

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-hydroxypropyl) methyl phosphate?
The IUPAC name of bis(3-chloro-2-hydroxypropyl) methyl phosphate (CID 167583670) is bis(3-chloro-2-hydroxypropyl) methyl phosphate.
What is the SMILES notation for bis(3-chloro-2-hydroxypropyl) methyl phosphate?
The canonical SMILES for bis(3-chloro-2-hydroxypropyl) methyl phosphate is COP(=O)(OCC(O)CCl)OCC(O)CCl.
What is the InChIKey of bis(3-chloro-2-hydroxypropyl) methyl phosphate?
The InChIKey is HMVVYBWQKFGXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2O6P/c1-13-16(12,14-4-6(10)2-8)15-5-7(11)3-9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of bis(3-chloro-2-hydroxypropyl) methyl phosphate?
bis(3-chloro-2-hydroxypropyl) methyl phosphate has a molecular weight of 297.07 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2-hydroxypropyl) methyl phosphate is sourced from PubChem (CID 167583670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).