methyl(prop-1-en-2-yloxy)phosphinic acid

C4H9O3P — CID 87155214

IUPACmethyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(C)(=O)O
InChIInChI=1S/C4H9O3P/c1-4(2)7-8(3,5)6/h1H2,2-3H3,(H,5,6)
InChIKeyBTOCRJBJWZYSSU-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.35
Rot. Bonds2

About methyl(prop-1-en-2-yloxy)phosphinic acid

methyl(prop-1-en-2-yloxy)phosphinic acid (PubChem CID 87155214) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is methyl(prop-1-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(prop-1-en-2-yloxy)phosphinic acid
PubChem CID87155214
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Namemethyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(C)(=O)O
InChIInChI=1S/C4H9O3P/c1-4(2)7-8(3,5)6/h1H2,2-3H3,(H,5,6)
InChIKeyBTOCRJBJWZYSSU-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl(prop-1-en-2-yloxy)phosphinic acid 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 methyl(prop-1-en-2-yloxy)phosphinic acid?
The IUPAC name of methyl(prop-1-en-2-yloxy)phosphinic acid (CID 87155214) is methyl(prop-1-en-2-yloxy)phosphinic acid.
What is the SMILES notation for methyl(prop-1-en-2-yloxy)phosphinic acid?
The canonical SMILES for methyl(prop-1-en-2-yloxy)phosphinic acid is C=C(C)OP(C)(=O)O.
What is the InChIKey of methyl(prop-1-en-2-yloxy)phosphinic acid?
The InChIKey is BTOCRJBJWZYSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4(2)7-8(3,5)6/h1H2,2-3H3,(H,5,6).
What are the key properties of methyl(prop-1-en-2-yloxy)phosphinic acid?
methyl(prop-1-en-2-yloxy)phosphinic acid has a molecular weight of 136.09 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(prop-1-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87155214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).