methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate

C13H16O4 — CID 70545359

IUPACmethyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCO/C(=C\c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C13H16O4/c1-4-17-12(13(14)16-3)9-10-5-7-11(15-2)8-6-10/h5-9H,4H2,1-3H3/b12-9-
InChIKeyVGIMYTKYNSHCFI-XFXZXTDPSA-N
MW236.27 g/mol
LogP2.25
Rot. Bonds5

About methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate

methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 70545359) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID70545359
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCO/C(=C\c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C13H16O4/c1-4-17-12(13(14)16-3)9-10-5-7-11(15-2)8-6-10/h5-9H,4H2,1-3H3/b12-9-
InChIKeyVGIMYTKYNSHCFI-XFXZXTDPSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
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

methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
CID 141015073
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
CID 139785089
ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 6019202
ethyl (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 5388605
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
methyl (Z)-3-(3-butoxy-4-iodophenyl)-2-ethoxyprop-2-enoate
CID 86626090
ethyl (Z)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 101204979
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
(Z)-2-ethoxy-3-(4-hydroperoxyphenyl)-1-phosphanylprop-2-en-1-one
CID 163412259

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate (CID 70545359) is methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate is CCO/C(=C\c1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is VGIMYTKYNSHCFI-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-17-12(13(14)16-3)9-10-5-7-11(15-2)8-6-10/h5-9H,4H2,1-3H3/b12-9-.
What are the key properties of methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate?
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 70545359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).