ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate

C12H15BrO3 — CID 875019

IUPACethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H15BrO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7H2,1-3H3
InChIKeyFTFCBIMHAVDTRW-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate

ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate (PubChem CID 875019) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
PubChem CID875019
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Nameethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H15BrO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7H2,1-3H3
InChIKeyFTFCBIMHAVDTRW-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
ethyl 2-[4-bromo-2-methyl-6-(propylaminomethyl)phenoxy]acetate
CID 115961358
ethyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)acetate
CID 65470204
2-phenylethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 4945265
(4-bromo-2-methylphenyl) 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 23011169
butyl 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]acetate
CID 112621145
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206
ethyl 4-(4-bromo-2-methyl-6-nitrophenoxy)-3-oxobutanoate
CID 79843836
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate (CID 875019) is ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate is CCOC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate?
The InChIKey is FTFCBIMHAVDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate?
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate has a molecular weight of 287.15 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 875019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).