ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate

C15H20O4 — CID 11572497

IUPACethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
SMILESCCOC(=O)/C=C(/CC(O)c1ccccc1)OCC
InChIInChI=1S/C15H20O4/c1-3-18-13(11-15(17)19-4-2)10-14(16)12-8-6-5-7-9-12/h5-9,11,14,16H,3-4,10H2,1-2H3/b13-11-
InChIKeyKSRXQTUOKDPJEB-QBFSEMIESA-N
MW264.32 g/mol
LogP2.59
Rot. Bonds7

About ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate

ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate (PubChem CID 11572497) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
PubChem CID11572497
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
SMILESCCOC(=O)/C=C(/CC(O)c1ccccc1)OCC
InChIInChI=1S/C15H20O4/c1-3-18-13(11-15(17)19-4-2)10-14(16)12-8-6-5-7-9-12/h5-9,11,14,16H,3-4,10H2,1-2H3/b13-11-
InChIKeyKSRXQTUOKDPJEB-QBFSEMIESA-N
XLogP2.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E,5R)-5-(4-chlorophenyl)-3-ethoxy-5-hydroxypent-2-enoate
CID 46895976
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
CID 102524333
ethyl (4R)-4-hydroxy-2-methylidene-4-phenylbutanoate
CID 101053661
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
[(E)-2,4-diethoxy-4-oxobut-2-enyl]-triphenylarsanium
CID 10745094
ethyl (Z)-3-methyl-5-phenyldec-2-enoate
CID 101265966
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 15947944
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate?
The IUPAC name of ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate (CID 11572497) is ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate?
The canonical SMILES for ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate is CCOC(=O)/C=C(/CC(O)c1ccccc1)OCC.
What is the InChIKey of ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate?
The InChIKey is KSRXQTUOKDPJEB-QBFSEMIESA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-13(11-15(17)19-4-2)10-14(16)12-8-6-5-7-9-12/h5-9,11,14,16H,3-4,10H2,1-2H3/b13-11-.
What are the key properties of ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate?
ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate is sourced from PubChem (CID 11572497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).