ethyl 3-hydroxy-2-phenylbut-2-enoate

C12H14O3 — CID 138115443

IUPACethyl 3-hydroxy-2-phenylbut-2-enoate
SMILESCCOC(=O)C(=C(C)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3
InChIKeyLBCQBFWMKNRKSV-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.54
Rot. Bonds3

About ethyl 3-hydroxy-2-phenylbut-2-enoate

ethyl 3-hydroxy-2-phenylbut-2-enoate (PubChem CID 138115443) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-phenylbut-2-enoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-phenylbut-2-enoate
PubChem CID138115443
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 3-hydroxy-2-phenylbut-2-enoate
SMILESCCOC(=O)C(=C(C)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3
InChIKeyLBCQBFWMKNRKSV-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
diethyl (Z)-2-phenyl-3-(2-phenylethyl)but-2-enedioate
CID 154407365
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
ethyl (E)-2-methyl-3-phenylpent-2-enoate
CID 11310524

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-phenylbut-2-enoate?
The IUPAC name of ethyl 3-hydroxy-2-phenylbut-2-enoate (CID 138115443) is ethyl 3-hydroxy-2-phenylbut-2-enoate.
What is the SMILES notation for ethyl 3-hydroxy-2-phenylbut-2-enoate?
The canonical SMILES for ethyl 3-hydroxy-2-phenylbut-2-enoate is CCOC(=O)C(=C(C)O)c1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-2-phenylbut-2-enoate?
The InChIKey is LBCQBFWMKNRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-2-phenylbut-2-enoate?
ethyl 3-hydroxy-2-phenylbut-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-phenylbut-2-enoate is sourced from PubChem (CID 138115443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).