2-methoxyethanol;phosphoric acid

C3H11O6P — CID 170852816

IUPAC2-methoxyethanol;phosphoric acid
SMILESCOCCO.O=P(O)(O)O
InChIInChI=1S/C3H8O2.H3O4P/c1-5-3-2-4;1-5(2,3)4/h4H,2-3H2,1H3;(H3,1,2,3,4)
InChIKeyKLDOIQXPUZCAQW-UHFFFAOYSA-N
MW174.09 g/mol
LogP-1.30
Rot. Bonds2

About 2-methoxyethanol;phosphoric acid

2-methoxyethanol;phosphoric acid (PubChem CID 170852816) has the molecular formula C3H11O6P and a molecular weight of 174.09 g/mol. Its IUPAC name is 2-methoxyethanol;phosphoric acid.

Molecular Properties

Compound Name2-methoxyethanol;phosphoric acid
PubChem CID170852816
Molecular FormulaC3H11O6P
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Name2-methoxyethanol;phosphoric acid
SMILESCOCCO.O=P(O)(O)O
InChIInChI=1S/C3H8O2.H3O4P/c1-5-3-2-4;1-5(2,3)4/h4H,2-3H2,1H3;(H3,1,2,3,4)
InChIKeyKLDOIQXPUZCAQW-UHFFFAOYSA-N
XLogP-1.30
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Ethanediol, phosphate
CID 104053
Phosphoric acid, mono(2-hydroxyethyl) monomethyl ester
CID 105820
2-Methoxyethyl dihydrogen phosphate
CID 5153072
Triethylene glycol monophosphate
CID 16741216
Bis(2-hydroxyethyl) methyl phosphate
CID 22007201
Diethylene glycol-monophosphate
CID 10465027
Diethyl 2-hydroxyethyl phosphate
CID 14892894
2-Hydroxyethoxymethylphosphonic acid
CID 85692794
2-Hydroxyethyl dimethyl phosphate
CID 14840640
Hydroxy-(2-methoxyethoxy)-oxophosphanium
CID 6383923
Tenofovir Impurity 250
CID 10241477
Diethyl 2-hydroxyethoxymethanephosphonate
CID 10262588

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;phosphoric acid?
The IUPAC name of 2-methoxyethanol;phosphoric acid (CID 170852816) is 2-methoxyethanol;phosphoric acid.
What is the SMILES notation for 2-methoxyethanol;phosphoric acid?
The canonical SMILES for 2-methoxyethanol;phosphoric acid is COCCO.O=P(O)(O)O.
What is the InChIKey of 2-methoxyethanol;phosphoric acid?
The InChIKey is KLDOIQXPUZCAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.H3O4P/c1-5-3-2-4;1-5(2,3)4/h4H,2-3H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-methoxyethanol;phosphoric acid?
2-methoxyethanol;phosphoric acid has a molecular weight of 174.09 g/mol, XLogP of -1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;phosphoric acid is sourced from PubChem (CID 170852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).