2-methylpropyl 2-(3-bromophenoxy)acetate

C12H15BrO3 — CID 142449056

IUPAC2-methylpropyl 2-(3-bromophenoxy)acetate
SMILESCC(C)COC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H15BrO3/c1-9(2)7-16-12(14)8-15-11-5-3-4-10(13)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyPCXWXKBRBDQCBT-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.03
Rot. Bonds5

About 2-methylpropyl 2-(3-bromophenoxy)acetate

2-methylpropyl 2-(3-bromophenoxy)acetate (PubChem CID 142449056) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-methylpropyl 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(3-bromophenoxy)acetate
PubChem CID142449056
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-methylpropyl 2-(3-bromophenoxy)acetate
SMILESCC(C)COC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H15BrO3/c1-9(2)7-16-12(14)8-15-11-5-3-4-10(13)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyPCXWXKBRBDQCBT-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
(4S)-5-(3-bromophenoxy)-4-methylpentanamide
CID 167563643
2-methylpropyl 2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetate
CID 167478794
sodium 2-(3-bromophenoxy)acetate
CID 19205570
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970486
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3-bromophenoxy)acetate
CID 9416481
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970559
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(3-bromophenoxy)acetate?
The IUPAC name of 2-methylpropyl 2-(3-bromophenoxy)acetate (CID 142449056) is 2-methylpropyl 2-(3-bromophenoxy)acetate.
What is the SMILES notation for 2-methylpropyl 2-(3-bromophenoxy)acetate?
The canonical SMILES for 2-methylpropyl 2-(3-bromophenoxy)acetate is CC(C)COC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-methylpropyl 2-(3-bromophenoxy)acetate?
The InChIKey is PCXWXKBRBDQCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-9(2)7-16-12(14)8-15-11-5-3-4-10(13)6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(3-bromophenoxy)acetate?
2-methylpropyl 2-(3-bromophenoxy)acetate has a molecular weight of 287.15 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 142449056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).