hexyl(phenyl)phosphinic acid

C12H19O2P — CID 2056368

IUPAChexyl(phenyl)phosphinic acid
SMILESCCCCCCP(=O)(O)c1ccccc1
InChIInChI=1S/C12H19O2P/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,13,14)
InChIKeyWYEQXLRSNZWGQD-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.16
Rot. Bonds6

About hexyl(phenyl)phosphinic acid

hexyl(phenyl)phosphinic acid (PubChem CID 2056368) has the molecular formula C12H19O2P and a molecular weight of 226.26 g/mol. Its IUPAC name is hexyl(phenyl)phosphinic acid.

Molecular Properties

Compound Namehexyl(phenyl)phosphinic acid
PubChem CID2056368
Molecular FormulaC12H19O2P
Molecular Weight226.26 g/mol
Exact Mass226.11
IUPAC Namehexyl(phenyl)phosphinic acid
SMILESCCCCCCP(=O)(O)c1ccccc1
InChIInChI=1S/C12H19O2P/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,13,14)
InChIKeyWYEQXLRSNZWGQD-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl(phenyl)phosphinic acid?
The IUPAC name of hexyl(phenyl)phosphinic acid (CID 2056368) is hexyl(phenyl)phosphinic acid.
What is the SMILES notation for hexyl(phenyl)phosphinic acid?
The canonical SMILES for hexyl(phenyl)phosphinic acid is CCCCCCP(=O)(O)c1ccccc1.
What is the InChIKey of hexyl(phenyl)phosphinic acid?
The InChIKey is WYEQXLRSNZWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2P/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,13,14).
What are the key properties of hexyl(phenyl)phosphinic acid?
hexyl(phenyl)phosphinic acid has a molecular weight of 226.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(phenyl)phosphinic acid is sourced from PubChem (CID 2056368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).