1,3,2-dioxaphospholan-2-ium 2-oxide;methanol

C3H8O4P+ — CID 174941889

IUPAC1,3,2-dioxaphospholan-2-ium 2-oxide;methanol
SMILESCO.O=[P+]1OCCO1
InChIInChI=1S/C2H4O3P.CH4O/c3-6-4-1-2-5-6;1-2/h1-2H2;2H,1H3/q+1;
InChIKeyQUWYLSVKUYDPFB-UHFFFAOYSA-N
MW139.07 g/mol
LogP0.30
Rot. Bonds

About 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol

1,3,2-dioxaphospholan-2-ium 2-oxide;methanol (PubChem CID 174941889) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol.

Molecular Properties

Compound Name1,3,2-dioxaphospholan-2-ium 2-oxide;methanol
PubChem CID174941889
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Name1,3,2-dioxaphospholan-2-ium 2-oxide;methanol
SMILESCO.O=[P+]1OCCO1
InChIInChI=1S/C2H4O3P.CH4O/c3-6-4-1-2-5-6;1-2/h1-2H2;2H,1H3/q+1;
InChIKeyQUWYLSVKUYDPFB-UHFFFAOYSA-N
XLogP0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol?
The IUPAC name of 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol (CID 174941889) is 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol.
What is the SMILES notation for 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol?
The canonical SMILES for 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol is CO.O=[P+]1OCCO1.
What is the InChIKey of 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol?
The InChIKey is QUWYLSVKUYDPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3P.CH4O/c3-6-4-1-2-5-6;1-2/h1-2H2;2H,1H3/q+1;.
What are the key properties of 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol?
1,3,2-dioxaphospholan-2-ium 2-oxide;methanol has a molecular weight of 139.07 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxaphospholan-2-ium 2-oxide;methanol is sourced from PubChem (CID 174941889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).