ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate

C14H17BrO4 — CID 175021511

IUPACethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCOc1ccc(Br)cc1
InChIInChI=1S/C14H17BrO4/c1-3-18-14(16)11(2)10-17-8-9-19-13-6-4-12(15)5-7-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGSYFFXGYPXWXQI-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.31
Rot. Bonds7

About ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate

ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate (PubChem CID 175021511) has the molecular formula C14H17BrO4 and a molecular weight of 329.19 g/mol. Its IUPAC name is ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate
PubChem CID175021511
Molecular FormulaC14H17BrO4
Molecular Weight329.19 g/mol
Exact Mass328.03
IUPAC Nameethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=COCCOc1ccc(Br)cc1
InChIInChI=1S/C14H17BrO4/c1-3-18-14(16)11(2)10-17-8-9-19-13-6-4-12(15)5-7-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGSYFFXGYPXWXQI-UHFFFAOYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
10-O-[2-(4-bromophenoxy)ethyl] 1-O-propyl decanedioate
CID 91740180
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614
2-(4-bromophenoxy)ethyl (2E,4E)-hexa-2,4-dienoate
CID 55314879
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
ethyl 3-[3-(2-methoxyethoxy)phenyl]-2-methylprop-2-enoate
CID 175144523

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate (CID 175021511) is ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate is CCOC(=O)C(C)=COCCOc1ccc(Br)cc1.
What is the InChIKey of ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate?
The InChIKey is GSYFFXGYPXWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO4/c1-3-18-14(16)11(2)10-17-8-9-19-13-6-4-12(15)5-7-13/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate?
ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate has a molecular weight of 329.19 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-bromophenoxy)ethoxy]-2-methylprop-2-enoate is sourced from PubChem (CID 175021511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).