pent-2-en-3-yl(phenoxy)phosphinous acid

C11H15O2P — CID 166528009

IUPACpent-2-en-3-yl(phenoxy)phosphinous acid
SMILESCC=C(CC)P(O)Oc1ccccc1
InChIInChI=1S/C11H15O2P/c1-3-11(4-2)14(12)13-10-8-6-5-7-9-10/h3,5-9,12H,4H2,1-2H3
InChIKeyABIPTQJQIRCJQK-UHFFFAOYSA-N
MW210.21 g/mol
LogP3.68
Rot. Bonds4

About pent-2-en-3-yl(phenoxy)phosphinous acid

pent-2-en-3-yl(phenoxy)phosphinous acid (PubChem CID 166528009) has the molecular formula C11H15O2P and a molecular weight of 210.21 g/mol. Its IUPAC name is pent-2-en-3-yl(phenoxy)phosphinous acid.

Molecular Properties

Compound Namepent-2-en-3-yl(phenoxy)phosphinous acid
PubChem CID166528009
Molecular FormulaC11H15O2P
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Namepent-2-en-3-yl(phenoxy)phosphinous acid
SMILESCC=C(CC)P(O)Oc1ccccc1
InChIInChI=1S/C11H15O2P/c1-3-11(4-2)14(12)13-10-8-6-5-7-9-10/h3,5-9,12H,4H2,1-2H3
InChIKeyABIPTQJQIRCJQK-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze pent-2-en-3-yl(phenoxy)phosphinous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl hydrogen phosphite;ethanol
CID 159674253
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
formyl(phenoxy)phosphinous acid
CID 19387428
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
calcium;hydride;phenyl dihydrogen phosphite
CID 173093871
strontium;hydride;phenyl dihydrogen phosphite
CID 173442477
phenoxy(phenyl)phosphinous acid
CID 21107296
4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
CID 139899843
diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
CID 161432608
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
diethoxy phenyl phosphite
CID 150732863

Frequently Asked Questions

What is the IUPAC name of pent-2-en-3-yl(phenoxy)phosphinous acid?
The IUPAC name of pent-2-en-3-yl(phenoxy)phosphinous acid (CID 166528009) is pent-2-en-3-yl(phenoxy)phosphinous acid.
What is the SMILES notation for pent-2-en-3-yl(phenoxy)phosphinous acid?
The canonical SMILES for pent-2-en-3-yl(phenoxy)phosphinous acid is CC=C(CC)P(O)Oc1ccccc1.
What is the InChIKey of pent-2-en-3-yl(phenoxy)phosphinous acid?
The InChIKey is ABIPTQJQIRCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2P/c1-3-11(4-2)14(12)13-10-8-6-5-7-9-10/h3,5-9,12H,4H2,1-2H3.
What are the key properties of pent-2-en-3-yl(phenoxy)phosphinous acid?
pent-2-en-3-yl(phenoxy)phosphinous acid has a molecular weight of 210.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-en-3-yl(phenoxy)phosphinous acid is sourced from PubChem (CID 166528009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).