[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid

C4H7O4P — CID 151295904

IUPAC[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
SMILESO=P(O)(O)/C=C/C=CO
InChIInChI=1S/C4H7O4P/c5-3-1-2-4-9(6,7)8/h1-5H,(H2,6,7,8)/b3-1?,4-2+
InChIKeyOBKAHSAPGFTGND-RWOTWAKKSA-N
MW150.07 g/mol
LogP0.75
Rot. Bonds2

About [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid

[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid (PubChem CID 151295904) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol. Its IUPAC name is [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
PubChem CID151295904
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
SMILESO=P(O)(O)/C=C/C=CO
InChIInChI=1S/C4H7O4P/c5-3-1-2-4-9(6,7)8/h1-5H,(H2,6,7,8)/b3-1?,4-2+
InChIKeyOBKAHSAPGFTGND-RWOTWAKKSA-N
XLogP0.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic 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

4-fluorobuta-1,3-dienylphosphonic acid;phosphoric acid
CID 175435756
trimethyl-[(E)-2-phosphonoethenyl]azanium
CID 169492840
3-chloroprop-1-enylphosphonic acid
CID 54206738
[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
CID 14924303
copper;phosphoric acid;hydrate
CID 516939
hydroxylamine;phosphoric acid
CID 160630292
3-chlorobut-1-enylphosphonic acid
CID 175522389
pent-1-enylphosphonic acid
CID 54140925
potassium;formic acid;hydride;phosphoric acid
CID 174853658
ethane;formic acid;phosphoric acid
CID 175156015
[(E)-1-amino-2-phosphonoethenyl]phosphonic acid
CID 87839952
azane;hydroxylamine;phosphoric acid
CID 173277328

Frequently Asked Questions

What is the IUPAC name of [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid?
The IUPAC name of [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid (CID 151295904) is [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid.
What is the SMILES notation for [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid?
The canonical SMILES for [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid is O=P(O)(O)/C=C/C=CO.
What is the InChIKey of [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid?
The InChIKey is OBKAHSAPGFTGND-RWOTWAKKSA-N. The full InChI is InChI=1S/C4H7O4P/c5-3-1-2-4-9(6,7)8/h1-5H,(H2,6,7,8)/b3-1?,4-2+.
What are the key properties of [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid?
[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid has a molecular weight of 150.07 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid is sourced from PubChem (CID 151295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).