ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate

C12H14O3 — CID 102348217

IUPACethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
SMILESCCOC(=O)C(O)/C=C\c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-9,11,13H,2H2,1H3/b9-8-
InChIKeyVKJBHXYAEPBVRG-HJWRWDBZSA-N
MW206.24 g/mol
LogP1.62
Rot. Bonds4

About ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate

ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate (PubChem CID 102348217) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
PubChem CID102348217
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
SMILESCCOC(=O)C(O)/C=C\c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-9,11,13H,2H2,1H3/b9-8-
InChIKeyVKJBHXYAEPBVRG-HJWRWDBZSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
ethyl (E)-4-(4-cyanophenyl)-2-hydroxybut-3-enoate
CID 145290275
ethyl acetate;stilbene
CID 159556390
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
CID 10494896
ethyl (6E)-5-hydroxy-2-methyl-4,7-diphenylhepta-2,3,6-trienoate
CID 24778352
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl carbamate;stilbene
CID 175156091
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
CID 10752945

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate?
The IUPAC name of ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate (CID 102348217) is ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate.
What is the SMILES notation for ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate?
The canonical SMILES for ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate is CCOC(=O)C(O)/C=C\c1ccccc1.
What is the InChIKey of ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate?
The InChIKey is VKJBHXYAEPBVRG-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-9,11,13H,2H2,1H3/b9-8-.
What are the key properties of ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate?
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate is sourced from PubChem (CID 102348217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).