methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate

C11H11BrF2O3 — CID 171014004

IUPACmethyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate
SMILESCOC(=O)Cc1cc(C)c(Br)c(OC(F)F)c1
InChIInChI=1S/C11H11BrF2O3/c1-6-3-7(5-9(15)16-2)4-8(10(6)12)17-11(13)14/h3-4,11H,5H2,1-2H3
InChIKeyJXWSFCNXHMYLPX-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.07
Rot. Bonds4

About methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate

methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate (PubChem CID 171014004) has the molecular formula C11H11BrF2O3 and a molecular weight of 309.11 g/mol. Its IUPAC name is methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate
PubChem CID171014004
Molecular FormulaC11H11BrF2O3
Molecular Weight309.11 g/mol
Exact Mass307.99
IUPAC Namemethyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate
SMILESCOC(=O)Cc1cc(C)c(Br)c(OC(F)F)c1
InChIInChI=1S/C11H11BrF2O3/c1-6-3-7(5-9(15)16-2)4-8(10(6)12)17-11(13)14/h3-4,11H,5H2,1-2H3
InChIKeyJXWSFCNXHMYLPX-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methoxy-5-methylphenyl)propan-2-one
CID 84805482
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019
methyl 2-[5-(chloromethyl)-3-(difluoromethoxy)-2-methylphenyl]acetate
CID 171019175
methyl 2-[5-(bromomethyl)-4-(difluoromethoxy)-2-methylphenyl]acetate
CID 171017182
methyl 2-[4-cyano-3-(difluoromethoxy)-5-ethylphenyl]acetate
CID 134613527
methyl 2-[4-(bromomethyl)-2-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171017876
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
methyl 2-[4-(chloromethyl)-5-(difluoromethoxy)-2-methylphenyl]acetate
CID 171020112
methyl 2-(3-bromo-4-iodo-5-methylphenyl)acetate
CID 171025956
methyl 2-[5-bromo-2-(bromomethyl)-3-(difluoromethoxy)phenyl]acetate
CID 171019426
methyl 2-[3-bromo-4-(difluoromethoxy)-5-nitrophenyl]acetate
CID 171014323
methyl 2-[5-(bromomethyl)-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171017398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate?
The IUPAC name of methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate (CID 171014004) is methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate?
The canonical SMILES for methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate is COC(=O)Cc1cc(C)c(Br)c(OC(F)F)c1.
What is the InChIKey of methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate?
The InChIKey is JXWSFCNXHMYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O3/c1-6-3-7(5-9(15)16-2)4-8(10(6)12)17-11(13)14/h3-4,11H,5H2,1-2H3.
What are the key properties of methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate?
methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate has a molecular weight of 309.11 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate is sourced from PubChem (CID 171014004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).