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

C9H11O4P — CID 11106709

IUPAC[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
SMILESO=P(O)(O)[C@H](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+/t9-/m0/s1
InChIKeyAENRDRAQDDHHQC-UCUJLANTSA-N
MW214.16 g/mol
LogP1.20
Rot. Bonds3

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

[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid (PubChem CID 11106709) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
PubChem CID11106709
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
SMILESO=P(O)(O)[C@H](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+/t9-/m0/s1
InChIKeyAENRDRAQDDHHQC-UCUJLANTSA-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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Related Compounds

[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
CID 71653547
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The IUPAC name of [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid (CID 11106709) is [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid.
What is the SMILES notation for [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The canonical SMILES for [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid is O=P(O)(O)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
The InChIKey is AENRDRAQDDHHQC-UCUJLANTSA-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+/t9-/m0/s1.
What are the key properties of [(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid?
[(E,1S)-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,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid is sourced from PubChem (CID 11106709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).