methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate

C11H13BrO3 — CID 154729409

IUPACmethyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)cc(Br)c1C
InChIInChI=1S/C11H13BrO3/c1-7-8(5-11(13)15-3)4-9(14-2)6-10(7)12/h4,6H,5H2,1-3H3
InChIKeyHRSMZFFPABWHJZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate

methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate (PubChem CID 154729409) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
PubChem CID154729409
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)cc(Br)c1C
InChIInChI=1S/C11H13BrO3/c1-7-8(5-11(13)15-3)4-9(14-2)6-10(7)12/h4,6H,5H2,1-3H3
InChIKeyHRSMZFFPABWHJZ-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-[3-(bromomethyl)-5-(difluoromethoxy)-2-methylphenyl]acetate
CID 171017399
ethyl 2-(3-bromo-2-formyl-5-methoxyphenyl)acetate
CID 171010052
ethyl 2-(3-bromo-2-cyano-5-methoxyphenyl)acetate
CID 134652638
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
methyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097191
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
CID 134407506
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate (CID 154729409) is methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate is COC(=O)Cc1cc(OC)cc(Br)c1C.
What is the InChIKey of methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate?
The InChIKey is HRSMZFFPABWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7-8(5-11(13)15-3)4-9(14-2)6-10(7)12/h4,6H,5H2,1-3H3.
What are the key properties of methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate?
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate has a molecular weight of 273.13 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate is sourced from PubChem (CID 154729409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).