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

C17H20ClO3P — CID 118483685

IUPAC2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(C)(C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClO3P/c1-4-21-22(19,20)17(2,3)15-9-5-13(6-10-15)14-7-11-16(18)12-8-14/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeyVTTXQJLHNRBRIY-UHFFFAOYSA-N
MW338.77 g/mol
LogP5.46
Rot. Bonds5

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

2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid (PubChem CID 118483685) has the molecular formula C17H20ClO3P and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid
PubChem CID118483685
Molecular FormulaC17H20ClO3P
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(C)(C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClO3P/c1-4-21-22(19,20)17(2,3)15-9-5-13(6-10-15)14-7-11-16(18)12-8-14/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeyVTTXQJLHNRBRIY-UHFFFAOYSA-N
XLogP5.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.77
LogP ≤ 55.46
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-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid (CID 118483685) is 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid is CCOP(=O)(O)C(C)(C)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid?
The InChIKey is VTTXQJLHNRBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClO3P/c1-4-21-22(19,20)17(2,3)15-9-5-13(6-10-15)14-7-11-16(18)12-8-14/h5-12H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid?
2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid has a molecular weight of 338.77 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]propan-2-yl-ethoxyphosphinic acid is sourced from PubChem (CID 118483685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).