1-chloroprop-2-enyl(methoxy)phosphinic acid

C4H8ClO3P — CID 87090444

IUPAC1-chloroprop-2-enyl(methoxy)phosphinic acid
SMILESC=CC(Cl)P(=O)(O)OC
InChIInChI=1S/C4H8ClO3P/c1-3-4(5)9(6,7)8-2/h3-4H,1H2,2H3,(H,6,7)
InChIKeyQQHPRQSGIBRTCD-UHFFFAOYSA-N
MW170.53 g/mol
LogP1.57
Rot. Bonds3

About 1-chloroprop-2-enyl(methoxy)phosphinic acid

1-chloroprop-2-enyl(methoxy)phosphinic acid (PubChem CID 87090444) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is 1-chloroprop-2-enyl(methoxy)phosphinic acid.

Molecular Properties

Compound Name1-chloroprop-2-enyl(methoxy)phosphinic acid
PubChem CID87090444
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Name1-chloroprop-2-enyl(methoxy)phosphinic acid
SMILESC=CC(Cl)P(=O)(O)OC
InChIInChI=1S/C4H8ClO3P/c1-3-4(5)9(6,7)8-2/h3-4H,1H2,2H3,(H,6,7)
InChIKeyQQHPRQSGIBRTCD-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-2-enyl(methoxy)phosphinic acid?
The IUPAC name of 1-chloroprop-2-enyl(methoxy)phosphinic acid (CID 87090444) is 1-chloroprop-2-enyl(methoxy)phosphinic acid.
What is the SMILES notation for 1-chloroprop-2-enyl(methoxy)phosphinic acid?
The canonical SMILES for 1-chloroprop-2-enyl(methoxy)phosphinic acid is C=CC(Cl)P(=O)(O)OC.
What is the InChIKey of 1-chloroprop-2-enyl(methoxy)phosphinic acid?
The InChIKey is QQHPRQSGIBRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-3-4(5)9(6,7)8-2/h3-4H,1H2,2H3,(H,6,7).
What are the key properties of 1-chloroprop-2-enyl(methoxy)phosphinic acid?
1-chloroprop-2-enyl(methoxy)phosphinic acid has a molecular weight of 170.53 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-2-enyl(methoxy)phosphinic acid is sourced from PubChem (CID 87090444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).