[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid

C15H14ClO5P — CID 71676346

IUPAC[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClO5P/c1-2-20-22(18,19)14-10-6-5-9-13(14)21-15(17)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,18,19)
InChIKeyFRKVCGVEGRMPBU-UHFFFAOYSA-N
MW340.70 g/mol
LogP3.41
Rot. Bonds5

About [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid

[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid (PubChem CID 71676346) has the molecular formula C15H14ClO5P and a molecular weight of 340.70 g/mol. Its IUPAC name is [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid
PubChem CID71676346
Molecular FormulaC15H14ClO5P
Molecular Weight340.70 g/mol
Exact Mass340.03
IUPAC Name[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClO5P/c1-2-20-22(18,19)14-10-6-5-9-13(14)21-15(17)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,18,19)
InChIKeyFRKVCGVEGRMPBU-UHFFFAOYSA-N
XLogP3.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid?
The IUPAC name of [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid (CID 71676346) is [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid.
What is the SMILES notation for [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid?
The canonical SMILES for [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid is CCOP(=O)(O)c1ccccc1OC(=O)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid?
The InChIKey is FRKVCGVEGRMPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClO5P/c1-2-20-22(18,19)14-10-6-5-9-13(14)21-15(17)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid?
[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid has a molecular weight of 340.70 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid is sourced from PubChem (CID 71676346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).