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

C14H16O5 — CID 169481272

IUPACethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1OCC(=O)OC
InChIInChI=1S/C14H16O5/c1-3-18-13(15)9-8-11-6-4-5-7-12(11)19-10-14(16)17-2/h4-9H,3,10H2,1-2H3
InChIKeyJEAFBALKDIXVRR-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.81
Rot. Bonds6

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

ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (PubChem CID 169481272) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
PubChem CID169481272
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1OCC(=O)OC
InChIInChI=1S/C14H16O5/c1-3-18-13(15)9-8-11-6-4-5-7-12(11)19-10-14(16)17-2/h4-9H,3,10H2,1-2H3
InChIKeyJEAFBALKDIXVRR-UHFFFAOYSA-N
XLogP1.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754
methyl 2-[2-(2-cyanoethenyl)phenoxy]acetate
CID 169484517
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
methyl 2-(2-formylphenoxy)acetate
CID 5151625
methyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]propanoate
CID 102577172
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
[2-(2-methylanilino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850813

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (CID 169481272) is ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccccc1OCC(=O)OC.
What is the InChIKey of ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The InChIKey is JEAFBALKDIXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-18-13(15)9-8-11-6-4-5-7-12(11)19-10-14(16)17-2/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 169481272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).