chloromethyl dimethyl phosphate

C3H8ClO4P — CID 88544336

IUPACchloromethyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCl
InChIInChI=1S/C3H8ClO4P/c1-6-9(5,7-2)8-3-4/h3H2,1-2H3
InChIKeySXWMOVVCNBEFQW-UHFFFAOYSA-N
MW174.52 g/mol
LogP1.60
Rot. Bonds4

About chloromethyl dimethyl phosphate

chloromethyl dimethyl phosphate (PubChem CID 88544336) has the molecular formula C3H8ClO4P and a molecular weight of 174.52 g/mol. Its IUPAC name is chloromethyl dimethyl phosphate.

Molecular Properties

Compound Namechloromethyl dimethyl phosphate
PubChem CID88544336
Molecular FormulaC3H8ClO4P
Molecular Weight174.52 g/mol
Exact Mass173.98
IUPAC Namechloromethyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCl
InChIInChI=1S/C3H8ClO4P/c1-6-9(5,7-2)8-3-4/h3H2,1-2H3
InChIKeySXWMOVVCNBEFQW-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.52
LogP ≤ 51.60
H-Bond Donors ≤ 50
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

tert-butyl chloromethyl methyl phosphate
CID 89409373
2-dimethoxyphosphoryloxyacetic acid
CID 88616837
dimethyl 2-oxopropyl phosphate
CID 14469675
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670
3-bromopropyl dimethyl phosphate
CID 156628564
dimethyl 3-sulfanylpropyl phosphate
CID 88756184
2-cyanoethyl dimethyl phosphate
CID 20665266
(3-methoxy-2-oxopropyl) dimethyl phosphate
CID 139615223
dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
CID 146177362
chloro methyl 2-methylpropyl phosphate
CID 118608255
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914

Frequently Asked Questions

What is the IUPAC name of chloromethyl dimethyl phosphate?
The IUPAC name of chloromethyl dimethyl phosphate (CID 88544336) is chloromethyl dimethyl phosphate.
What is the SMILES notation for chloromethyl dimethyl phosphate?
The canonical SMILES for chloromethyl dimethyl phosphate is COP(=O)(OC)OCCl.
What is the InChIKey of chloromethyl dimethyl phosphate?
The InChIKey is SXWMOVVCNBEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO4P/c1-6-9(5,7-2)8-3-4/h3H2,1-2H3.
What are the key properties of chloromethyl dimethyl phosphate?
chloromethyl dimethyl phosphate has a molecular weight of 174.52 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl dimethyl phosphate is sourced from PubChem (CID 88544336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).