methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate

C12H15BrO2 — CID 58892842

IUPACmethyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
SMILESCCc1cc(C)cc(Br)c1CC(=O)OC
InChIInChI=1S/C12H15BrO2/c1-4-9-5-8(2)6-11(13)10(9)7-12(14)15-3/h5-6H,4,7H2,1-3H3
InChIKeyDEBJBYUWBTUXNA-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate

methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate (PubChem CID 58892842) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
PubChem CID58892842
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Namemethyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
SMILESCCc1cc(C)cc(Br)c1CC(=O)OC
InChIInChI=1S/C12H15BrO2/c1-4-9-5-8(2)6-11(13)10(9)7-12(14)15-3/h5-6H,4,7H2,1-3H3
InChIKeyDEBJBYUWBTUXNA-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
CID 134407506
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
ethyl 1-[[2-(2-bromo-6-ethyl-4-methylphenyl)acetyl]amino]-4-ethoxycyclohexane-1-carboxylate
CID 58892841
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
methyl 2-(2-ethyl-4-isocyano-6-methylphenyl)acetate
CID 18684740
methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
carbon dioxide;methyl 2-(3-ethyl-5-methylphenyl)acetate
CID 160852641
methyl 2-(2-ethyl-6-methyl-4-prop-1-enylphenyl)acetate
CID 167286299

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate (CID 58892842) is methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate is CCc1cc(C)cc(Br)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate?
The InChIKey is DEBJBYUWBTUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-4-9-5-8(2)6-11(13)10(9)7-12(14)15-3/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate?
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate has a molecular weight of 271.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate is sourced from PubChem (CID 58892842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).