[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate

C12H12O4 — CID 88758596

IUPAC[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C12H12O4/c1-8(2)11(14)16-12(15)10(13)9-6-4-3-5-7-9/h3-7,10,13H,1H2,2H3/t10-/m1/s1
InChIKeyGFDKUOYWZPKWJF-SNVBAGLBSA-N
MW220.22 g/mol
LogP1.37
Rot. Bonds3

About [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate

[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate (PubChem CID 88758596) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
PubChem CID88758596
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C12H12O4/c1-8(2)11(14)16-12(15)10(13)9-6-4-3-5-7-9/h3-7,10,13H,1H2,2H3/t10-/m1/s1
InChIKeyGFDKUOYWZPKWJF-SNVBAGLBSA-N
XLogP1.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
1-hydroxy-3-methyl-1-phenylbut-3-en-2-one
CID 15667859
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
CID 12507780
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 153322915
(E)-4-[(2R)-2-hydroxy-2-phenylacetyl]oxy-4-oxobut-2-enoic acid
CID 87746936
(1-amino-1-phenylpropan-2-yl) 2-methylprop-2-enoate;hydrochloride
CID 173341701
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate?
The IUPAC name of [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate (CID 88758596) is [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)[C@H](O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate?
The InChIKey is GFDKUOYWZPKWJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12O4/c1-8(2)11(14)16-12(15)10(13)9-6-4-3-5-7-9/h3-7,10,13H,1H2,2H3/t10-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate?
[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate has a molecular weight of 220.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88758596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).