2-methoxyethyl dihydrogen phosphate

C3H9O5P — CID 5153072

IUPAC2-methoxyethyl dihydrogen phosphate
SMILESCOCCOP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKeyCKIDCAPNNGWMCC-UHFFFAOYSA-N
MW156.07 g/mol
LogP-0.26
Rot. Bonds4

About 2-methoxyethyl dihydrogen phosphate

2-methoxyethyl dihydrogen phosphate (PubChem CID 5153072) has the molecular formula C3H9O5P and a molecular weight of 156.07 g/mol. Its IUPAC name is 2-methoxyethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-methoxyethyl dihydrogen phosphate
PubChem CID5153072
Molecular FormulaC3H9O5P
Molecular Weight156.07 g/mol
Exact Mass156.02
IUPAC Name2-methoxyethyl dihydrogen phosphate
SMILESCOCCOP(=O)(O)O
InChIInChI=1S/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKeyCKIDCAPNNGWMCC-UHFFFAOYSA-N
XLogP-0.26
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl dihydrogen phosphate?
The IUPAC name of 2-methoxyethyl dihydrogen phosphate (CID 5153072) is 2-methoxyethyl dihydrogen phosphate.
What is the SMILES notation for 2-methoxyethyl dihydrogen phosphate?
The canonical SMILES for 2-methoxyethyl dihydrogen phosphate is COCCOP(=O)(O)O.
What is the InChIKey of 2-methoxyethyl dihydrogen phosphate?
The InChIKey is CKIDCAPNNGWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6).
What are the key properties of 2-methoxyethyl dihydrogen phosphate?
2-methoxyethyl dihydrogen phosphate has a molecular weight of 156.07 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl dihydrogen phosphate is sourced from PubChem (CID 5153072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).