but-3-ynoxy(phenyl)phosphinic acid

C10H11O3P — CID 88830829

IUPACbut-3-ynoxy(phenyl)phosphinic acid
SMILESC#CCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C10H11O3P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h1,4-8H,3,9H2,(H,11,12)
InChIKeyZUOVEJQDVIISFQ-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.54
Rot. Bonds4

About but-3-ynoxy(phenyl)phosphinic acid

but-3-ynoxy(phenyl)phosphinic acid (PubChem CID 88830829) has the molecular formula C10H11O3P and a molecular weight of 210.17 g/mol. Its IUPAC name is but-3-ynoxy(phenyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-ynoxy(phenyl)phosphinic acid
PubChem CID88830829
Molecular FormulaC10H11O3P
Molecular Weight210.17 g/mol
Exact Mass210.04
IUPAC Namebut-3-ynoxy(phenyl)phosphinic acid
SMILESC#CCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C10H11O3P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h1,4-8H,3,9H2,(H,11,12)
InChIKeyZUOVEJQDVIISFQ-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-ynoxy(phenyl)phosphinic acid?
The IUPAC name of but-3-ynoxy(phenyl)phosphinic acid (CID 88830829) is but-3-ynoxy(phenyl)phosphinic acid.
What is the SMILES notation for but-3-ynoxy(phenyl)phosphinic acid?
The canonical SMILES for but-3-ynoxy(phenyl)phosphinic acid is C#CCCOP(=O)(O)c1ccccc1.
What is the InChIKey of but-3-ynoxy(phenyl)phosphinic acid?
The InChIKey is ZUOVEJQDVIISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3P/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h1,4-8H,3,9H2,(H,11,12).
What are the key properties of but-3-ynoxy(phenyl)phosphinic acid?
but-3-ynoxy(phenyl)phosphinic acid has a molecular weight of 210.17 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynoxy(phenyl)phosphinic acid is sourced from PubChem (CID 88830829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).