methyl 2-(3,5-dibromo-2-methylphenyl)acetate

C10H10Br2O2 — CID 59156590

IUPACmethyl 2-(3,5-dibromo-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)cc(Br)c1C
InChIInChI=1S/C10H10Br2O2/c1-6-7(4-10(13)14-2)3-8(11)5-9(6)12/h3,5H,4H2,1-2H3
InChIKeyMYMCZAJYPREJPU-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.24
Rot. Bonds2

About methyl 2-(3,5-dibromo-2-methylphenyl)acetate

methyl 2-(3,5-dibromo-2-methylphenyl)acetate (PubChem CID 59156590) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is methyl 2-(3,5-dibromo-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dibromo-2-methylphenyl)acetate
PubChem CID59156590
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Namemethyl 2-(3,5-dibromo-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)cc(Br)c1C
InChIInChI=1S/C10H10Br2O2/c1-6-7(4-10(13)14-2)3-8(11)5-9(6)12/h3,5H,4H2,1-2H3
InChIKeyMYMCZAJYPREJPU-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dibromo-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3,5-dibromo-2-methylphenyl)acetate (CID 59156590) is methyl 2-(3,5-dibromo-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dibromo-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dibromo-2-methylphenyl)acetate is COC(=O)Cc1cc(Br)cc(Br)c1C.
What is the InChIKey of methyl 2-(3,5-dibromo-2-methylphenyl)acetate?
The InChIKey is MYMCZAJYPREJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-6-7(4-10(13)14-2)3-8(11)5-9(6)12/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(3,5-dibromo-2-methylphenyl)acetate?
methyl 2-(3,5-dibromo-2-methylphenyl)acetate has a molecular weight of 322.00 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dibromo-2-methylphenyl)acetate is sourced from PubChem (CID 59156590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).