but-1-enyl(phenoxy)phosphinic acid

C10H13O3P — CID 139802043

IUPACbut-1-enyl(phenoxy)phosphinic acid
SMILESCCC=CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H13O3P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,11,12)
InChIKeyILHWDGJPROZXMR-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.17
Rot. Bonds4

About but-1-enyl(phenoxy)phosphinic acid

but-1-enyl(phenoxy)phosphinic acid (PubChem CID 139802043) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is but-1-enyl(phenoxy)phosphinic acid.

Molecular Properties

Compound Namebut-1-enyl(phenoxy)phosphinic acid
PubChem CID139802043
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Namebut-1-enyl(phenoxy)phosphinic acid
SMILESCCC=CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H13O3P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,11,12)
InChIKeyILHWDGJPROZXMR-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
CID 175892525
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
CID 134934628
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
but-1-enyl(methyl)phosphinic acid
CID 123464058
pentan-3-yl phenyl hydrogen phosphate
CID 175461995

Frequently Asked Questions

What is the IUPAC name of but-1-enyl(phenoxy)phosphinic acid?
The IUPAC name of but-1-enyl(phenoxy)phosphinic acid (CID 139802043) is but-1-enyl(phenoxy)phosphinic acid.
What is the SMILES notation for but-1-enyl(phenoxy)phosphinic acid?
The canonical SMILES for but-1-enyl(phenoxy)phosphinic acid is CCC=CP(=O)(O)Oc1ccccc1.
What is the InChIKey of but-1-enyl(phenoxy)phosphinic acid?
The InChIKey is ILHWDGJPROZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h3-9H,2H2,1H3,(H,11,12).
What are the key properties of but-1-enyl(phenoxy)phosphinic acid?
but-1-enyl(phenoxy)phosphinic acid has a molecular weight of 212.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl(phenoxy)phosphinic acid is sourced from PubChem (CID 139802043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).