ethyl 2-(2-bromo-6-methylphenyl)acetate

C11H13BrO2 — CID 134615175

IUPACethyl 2-(2-bromo-6-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cccc1Br
InChIInChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-8(2)5-4-6-10(9)12/h4-6H,3,7H2,1-2H3
InChIKeyPOXKGJCSNDBVPG-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.86
Rot. Bonds3

About ethyl 2-(2-bromo-6-methylphenyl)acetate

ethyl 2-(2-bromo-6-methylphenyl)acetate (PubChem CID 134615175) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is ethyl 2-(2-bromo-6-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-6-methylphenyl)acetate
PubChem CID134615175
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Nameethyl 2-(2-bromo-6-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cccc1Br
InChIInChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-8(2)5-4-6-10(9)12/h4-6H,3,7H2,1-2H3
InChIKeyPOXKGJCSNDBVPG-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
ethyl 2-[2-(3-bromo-2-oxopropyl)-6-methylphenyl]acetate
CID 134631741
ethyl 2-(2-methyl-6-propanoylphenyl)acetate
CID 134614867
ethyl 2-[3-bromo-2-(3-chloropropyl)phenyl]acetate
CID 134632812
ethyl 2-[2-bromo-6-(tert-butylsulfamoyl)phenyl]acetate
CID 177306765
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
1-(2-bromo-6-methylphenyl)-3-chloropropan-2-one
CID 130766658
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 3-[2-bromo-6-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 134634878
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-6-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-6-methylphenyl)acetate (CID 134615175) is ethyl 2-(2-bromo-6-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-6-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-6-methylphenyl)acetate is CCOC(=O)Cc1c(C)cccc1Br.
What is the InChIKey of ethyl 2-(2-bromo-6-methylphenyl)acetate?
The InChIKey is POXKGJCSNDBVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-8(2)5-4-6-10(9)12/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-6-methylphenyl)acetate?
ethyl 2-(2-bromo-6-methylphenyl)acetate has a molecular weight of 257.13 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-6-methylphenyl)acetate is sourced from PubChem (CID 134615175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).