bis(4-ethylphenyl)phosphinic acid

C16H19O2P — CID 23160701

IUPACbis(4-ethylphenyl)phosphinic acid
SMILESCCc1ccc(P(=O)(O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H19O2P/c1-3-13-5-9-15(10-6-13)19(17,18)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyHZEAOXFRARRZEO-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.03
Rot. Bonds4

About bis(4-ethylphenyl)phosphinic acid

bis(4-ethylphenyl)phosphinic acid (PubChem CID 23160701) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is bis(4-ethylphenyl)phosphinic acid.

Molecular Properties

Compound Namebis(4-ethylphenyl)phosphinic acid
PubChem CID23160701
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namebis(4-ethylphenyl)phosphinic acid
SMILESCCc1ccc(P(=O)(O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H19O2P/c1-3-13-5-9-15(10-6-13)19(17,18)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyHZEAOXFRARRZEO-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-ethylphenyl)phosphinic acid?
The IUPAC name of bis(4-ethylphenyl)phosphinic acid (CID 23160701) is bis(4-ethylphenyl)phosphinic acid.
What is the SMILES notation for bis(4-ethylphenyl)phosphinic acid?
The canonical SMILES for bis(4-ethylphenyl)phosphinic acid is CCc1ccc(P(=O)(O)c2ccc(CC)cc2)cc1.
What is the InChIKey of bis(4-ethylphenyl)phosphinic acid?
The InChIKey is HZEAOXFRARRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-3-13-5-9-15(10-6-13)19(17,18)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H,17,18).
What are the key properties of bis(4-ethylphenyl)phosphinic acid?
bis(4-ethylphenyl)phosphinic acid has a molecular weight of 274.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenyl)phosphinic acid is sourced from PubChem (CID 23160701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).