ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate

C15H18O6 — CID 92908749

IUPACethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3/b8-6-
InChIKeyGIJJASFJRAJLCJ-VURMDHGXSA-N
MW294.30 g/mol
LogP1.82
Rot. Bonds7

About ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate

ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (PubChem CID 92908749) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
PubChem CID92908749
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Nameethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3/b8-6-
InChIKeyGIJJASFJRAJLCJ-VURMDHGXSA-N
XLogP1.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 16764845
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253521
methyl 2-[4-[(1E,3Z,6E)-3-hydroxy-7-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]acetate
CID 10414053
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl (E)-3-[4-[[2-[2-(2-methoxy-4-methylphenoxy)acetyl]oxyacetyl]amino]phenyl]prop-2-enoate
CID 18282870
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653890
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
ethyl (E)-3-[4-(3-hydroxyhexoxy)-3-methoxyphenyl]prop-2-enoate
CID 11450118
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (CID 92908749) is ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is CCOC(=O)/C=C\c1ccc(OCC(=O)OC)c(OC)c1.
What is the InChIKey of ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The InChIKey is GIJJASFJRAJLCJ-VURMDHGXSA-N. The full InChI is InChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3/b8-6-.
What are the key properties of ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate has a molecular weight of 294.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 92908749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).