[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid

C14H14ClO3P — CID 118483667

IUPAC[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClO3P/c1-2-18-19(16,17)14-6-4-3-5-13(14)11-7-9-12(15)10-8-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyWDHCGXYQNMVUIY-UHFFFAOYSA-N
MW296.69 g/mol
LogP3.85
Rot. Bonds4

About [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid

[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid (PubChem CID 118483667) has the molecular formula C14H14ClO3P and a molecular weight of 296.69 g/mol. Its IUPAC name is [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
PubChem CID118483667
Molecular FormulaC14H14ClO3P
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClO3P/c1-2-18-19(16,17)14-6-4-3-5-13(14)11-7-9-12(15)10-8-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyWDHCGXYQNMVUIY-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid?
The IUPAC name of [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid (CID 118483667) is [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid.
What is the SMILES notation for [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid?
The canonical SMILES for [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid is CCOP(=O)(O)c1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid?
The InChIKey is WDHCGXYQNMVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClO3P/c1-2-18-19(16,17)14-6-4-3-5-13(14)11-7-9-12(15)10-8-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid?
[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid has a molecular weight of 296.69 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid is sourced from PubChem (CID 118483667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).