2-hydroxypropyl methyl hydrogen phosphate

C4H11O5P — CID 11789628

IUPAC2-hydroxypropyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(C)O
InChIInChI=1S/C4H11O5P/c1-4(5)3-9-10(6,7)8-2/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyMMCNKVKULNVOEA-UHFFFAOYSA-N
MW170.10 g/mol
LogP0.13
Rot. Bonds4

About 2-hydroxypropyl methyl hydrogen phosphate

2-hydroxypropyl methyl hydrogen phosphate (PubChem CID 11789628) has the molecular formula C4H11O5P and a molecular weight of 170.10 g/mol. Its IUPAC name is 2-hydroxypropyl methyl hydrogen phosphate.

Molecular Properties

Compound Name2-hydroxypropyl methyl hydrogen phosphate
PubChem CID11789628
Molecular FormulaC4H11O5P
Molecular Weight170.10 g/mol
Exact Mass170.03
IUPAC Name2-hydroxypropyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(C)O
InChIInChI=1S/C4H11O5P/c1-4(5)3-9-10(6,7)8-2/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyMMCNKVKULNVOEA-UHFFFAOYSA-N
XLogP0.13
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl methyl hydrogen phosphate?
The IUPAC name of 2-hydroxypropyl methyl hydrogen phosphate (CID 11789628) is 2-hydroxypropyl methyl hydrogen phosphate.
What is the SMILES notation for 2-hydroxypropyl methyl hydrogen phosphate?
The canonical SMILES for 2-hydroxypropyl methyl hydrogen phosphate is COP(=O)(O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl methyl hydrogen phosphate?
The InChIKey is MMCNKVKULNVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O5P/c1-4(5)3-9-10(6,7)8-2/h4-5H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-hydroxypropyl methyl hydrogen phosphate?
2-hydroxypropyl methyl hydrogen phosphate has a molecular weight of 170.10 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl methyl hydrogen phosphate is sourced from PubChem (CID 11789628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).