(1-chloro-2-ethoxyethenyl)phosphonic acid

C4H8ClO4P — CID 142772681

IUPAC(1-chloro-2-ethoxyethenyl)phosphonic acid
SMILESCCOC=C(Cl)P(=O)(O)O
InChIInChI=1S/C4H8ClO4P/c1-2-9-3-4(5)10(6,7)8/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyHMCWOOITQRABNI-UHFFFAOYSA-N
MW186.53 g/mol
LogP1.24
Rot. Bonds3

About (1-chloro-2-ethoxyethenyl)phosphonic acid

(1-chloro-2-ethoxyethenyl)phosphonic acid (PubChem CID 142772681) has the molecular formula C4H8ClO4P and a molecular weight of 186.53 g/mol. Its IUPAC name is (1-chloro-2-ethoxyethenyl)phosphonic acid.

Molecular Properties

Compound Name(1-chloro-2-ethoxyethenyl)phosphonic acid
PubChem CID142772681
Molecular FormulaC4H8ClO4P
Molecular Weight186.53 g/mol
Exact Mass185.98
IUPAC Name(1-chloro-2-ethoxyethenyl)phosphonic acid
SMILESCCOC=C(Cl)P(=O)(O)O
InChIInChI=1S/C4H8ClO4P/c1-2-9-3-4(5)10(6,7)8/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyHMCWOOITQRABNI-UHFFFAOYSA-N
XLogP1.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.53
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-ethoxyethenyl)phosphonic acid?
The IUPAC name of (1-chloro-2-ethoxyethenyl)phosphonic acid (CID 142772681) is (1-chloro-2-ethoxyethenyl)phosphonic acid.
What is the SMILES notation for (1-chloro-2-ethoxyethenyl)phosphonic acid?
The canonical SMILES for (1-chloro-2-ethoxyethenyl)phosphonic acid is CCOC=C(Cl)P(=O)(O)O.
What is the InChIKey of (1-chloro-2-ethoxyethenyl)phosphonic acid?
The InChIKey is HMCWOOITQRABNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO4P/c1-2-9-3-4(5)10(6,7)8/h3H,2H2,1H3,(H2,6,7,8).
What are the key properties of (1-chloro-2-ethoxyethenyl)phosphonic acid?
(1-chloro-2-ethoxyethenyl)phosphonic acid has a molecular weight of 186.53 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-ethoxyethenyl)phosphonic acid is sourced from PubChem (CID 142772681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).