methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate

C10H10BrFO2 — CID 171015076

IUPACmethyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C)c(Br)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-3-4-7(5-8(13)14-2)10(12)9(6)11/h3-4H,5H2,1-2H3
InChIKeyZMHJTPPKSKINEJ-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.61
Rot. Bonds2

About methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate

methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate (PubChem CID 171015076) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
PubChem CID171015076
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Namemethyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C)c(Br)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-3-4-7(5-8(13)14-2)10(12)9(6)11/h3-4H,5H2,1-2H3
InChIKeyZMHJTPPKSKINEJ-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
methyl 2-(3-fluoro-4-methyl-2-nitrophenyl)acetate
CID 171030409
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
CID 171011025
2-bromo-3-fluoro-1,4-dimethylbenzene
CID 59160806
methyl 2-(4-bromo-2-cyclopropyl-3-fluorophenyl)acetate
CID 167079672
ethane;methyl 2-(2-chloro-3,4-dimethylphenyl)acetate
CID 144916054
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate (CID 171015076) is methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate is COC(=O)Cc1ccc(C)c(Br)c1F.
What is the InChIKey of methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate?
The InChIKey is ZMHJTPPKSKINEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-3-4-7(5-8(13)14-2)10(12)9(6)11/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate?
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate has a molecular weight of 261.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate is sourced from PubChem (CID 171015076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).