methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate

C10H10BrClO2 — CID 171011025

IUPACmethyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
SMILESCOC(=O)Cc1c(C)ccc(Cl)c1Br
InChIInChI=1S/C10H10BrClO2/c1-6-3-4-8(12)10(11)7(6)5-9(13)14-2/h3-4H,5H2,1-2H3
InChIKeyDTLZWAGVGZCKFX-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.13
Rot. Bonds2

About methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate

methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate (PubChem CID 171011025) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
PubChem CID171011025
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Namemethyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
SMILESCOC(=O)Cc1c(C)ccc(Cl)c1Br
InChIInChI=1S/C10H10BrClO2/c1-6-3-4-8(12)10(11)7(6)5-9(13)14-2/h3-4H,5H2,1-2H3
InChIKeyDTLZWAGVGZCKFX-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-chloro-2-formyl-3-methylphenyl)acetate
CID 171022124
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
(2-bromo-3-chloro-6-methylphenyl)methanol
CID 131628561
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
methyl 2-(3-bromo-6-methyl-2-nitrophenyl)acetate
CID 134634977
methyl 2-(3-bromo-6-chloro-2-cyanophenyl)acetate
CID 131434355
methyl 2-[6-(bromomethyl)-2,3-dimethylphenyl]acetate
CID 171017935
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate (CID 171011025) is methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate is COC(=O)Cc1c(C)ccc(Cl)c1Br.
What is the InChIKey of methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate?
The InChIKey is DTLZWAGVGZCKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6-3-4-8(12)10(11)7(6)5-9(13)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate?
methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate has a molecular weight of 277.55 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate is sourced from PubChem (CID 171011025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).