Phosphoethanol

C2H5O3P — CID 6857927

IUPAC—
SMILESCCOP(=O)=O
InChIInChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3
InChIKeyZUNGGJHBMLMRFJ-UHFFFAOYSA-N
MW108.03 g/mol
LogP1.11
Rot. Bonds2

About Phosphoethanol

Phosphoethanol (PubChem CID 6857927) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol.

Molecular Properties

Compound NamePhosphoethanol
PubChem CID6857927
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Name—
SMILESCCOP(=O)=O
InChIInChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3
InChIKeyZUNGGJHBMLMRFJ-UHFFFAOYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl dichlorophosphate
CID 15158
Monoethyl phosphate
CID 74190
Ethyl methylphosphonate
CID 449085
Diethyl methylphosphonate
CID 12685
Phosphorodifluoridic acid, ethyl ester
CID 120250
Diethyl phosphoric acid
CID 5166299
Ethyl phosphate(2-)
CID 12691392
Ethyl methylphosphinate
CID 6328184
Fosetyl
CID 6328134

Frequently Asked Questions

What is the IUPAC name of Phosphoethanol?
The IUPAC name of Phosphoethanol (CID 6857927) is not available.
What is the SMILES notation for Phosphoethanol?
The canonical SMILES for Phosphoethanol is CCOP(=O)=O.
What is the InChIKey of Phosphoethanol?
The InChIKey is ZUNGGJHBMLMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3.
What are the key properties of Phosphoethanol?
Phosphoethanol has a molecular weight of 108.03 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphoethanol is sourced from PubChem (CID 6857927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).