ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate

C17H18O3 — CID 102479878

IUPACethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1cc(C)oc1C
InChIInChI=1S/C17H18O3/c1-4-19-17(18)11-16(14-8-6-5-7-9-14)15-10-12(2)20-13(15)3/h5-11H,4H2,1-3H3/b16-11-
InChIKeyJWJAUMPXLSSRFP-WJDWOHSUSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds4

About ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate

ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate (PubChem CID 102479878) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
PubChem CID102479878
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1cc(C)oc1C
InChIInChI=1S/C17H18O3/c1-4-19-17(18)11-16(14-8-6-5-7-9-14)15-10-12(2)20-13(15)3/h5-11H,4H2,1-3H3/b16-11-
InChIKeyJWJAUMPXLSSRFP-WJDWOHSUSA-N
XLogP3.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
CID 12624786
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate (CID 102479878) is ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(/c1ccccc1)c1cc(C)oc1C.
What is the InChIKey of ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate?
The InChIKey is JWJAUMPXLSSRFP-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-19-17(18)11-16(14-8-6-5-7-9-14)15-10-12(2)20-13(15)3/h5-11H,4H2,1-3H3/b16-11-.
What are the key properties of ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate?
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate has a molecular weight of 270.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate is sourced from PubChem (CID 102479878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).