[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid

C9H11O4P — CID 5470790

IUPAC[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
SMILESO=P(O)(O)C(O)/C=C/c1ccccc1
InChIInChI=1S/C9H11O4P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9-10H,(H2,11,12,13)/b7-6+
InChIKeyAENRDRAQDDHHQC-VOTSOKGWSA-N
MW214.16 g/mol
LogP1.20
Rot. Bonds3

About [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid

[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid (PubChem CID 5470790) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
PubChem CID5470790
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
SMILESO=P(O)(O)C(O)/C=C/c1ccccc1
InChIInChI=1S/C9H11O4P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9-10H,(H2,11,12,13)/b7-6+
InChIKeyAENRDRAQDDHHQC-VOTSOKGWSA-N
XLogP1.20
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The IUPAC name of [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid (CID 5470790) is [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid.
What is the SMILES notation for [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The canonical SMILES for [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid is O=P(O)(O)C(O)/C=C/c1ccccc1.
What is the InChIKey of [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The InChIKey is AENRDRAQDDHHQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11O4P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9-10H,(H2,11,12,13)/b7-6+.
What are the key properties of [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid has a molecular weight of 214.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid is sourced from PubChem (CID 5470790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).