[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid

C12H17O4P — CID 152733650

IUPAC[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid
SMILESC/C(=C(/C)[C@@](C)(O)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C12H17O4P/c1-9(11-7-5-4-6-8-11)10(2)12(3,13)17(14,15)16/h4-8,13H,1-3H3,(H2,14,15,16)/b10-9+/t12-/m0/s1
InChIKeyZYDJPEZYYBEOHX-VMPCVLLUSA-N
MW256.24 g/mol
LogP2.37
Rot. Bonds3

About [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid

[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid (PubChem CID 152733650) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid
PubChem CID152733650
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid
SMILESC/C(=C(/C)[C@@](C)(O)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C12H17O4P/c1-9(11-7-5-4-6-8-11)10(2)12(3,13)17(14,15)16/h4-8,13H,1-3H3,(H2,14,15,16)/b10-9+/t12-/m0/s1
InChIKeyZYDJPEZYYBEOHX-VMPCVLLUSA-N
XLogP2.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.37
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

ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
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CID 91393199
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
tert-butyl benzoate
CID 135038599
1-dimethylphosphorylethenylbenzene
CID 89402997
[(E)-2-phenylprop-1-enyl]phosphonic acid
CID 10954513
(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
CID 154061892
[(1S)-1-chloro-1-phenylethyl]phosphonic acid
CID 129361633
[hydroxy-[hydroxy(methyl)phosphoryl]-phenylsulfanylmethyl]phosphonic acid
CID 165045805
2,2-dimethylpropane;diphenylmethanone
CID 159191976
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane
CID 157312693

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid?
The IUPAC name of [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid (CID 152733650) is [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid.
What is the SMILES notation for [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid?
The canonical SMILES for [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid is C/C(=C(/C)[C@@](C)(O)P(=O)(O)O)c1ccccc1.
What is the InChIKey of [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid?
The InChIKey is ZYDJPEZYYBEOHX-VMPCVLLUSA-N. The full InChI is InChI=1S/C12H17O4P/c1-9(11-7-5-4-6-8-11)10(2)12(3,13)17(14,15)16/h4-8,13H,1-3H3,(H2,14,15,16)/b10-9+/t12-/m0/s1.
What are the key properties of [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid?
[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid has a molecular weight of 256.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid is sourced from PubChem (CID 152733650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).