ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate

C12H15BrO3 — CID 171001780

IUPACethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Br)c1C
InChIInChI=1S/C12H15BrO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3
InChIKeyATCVBCOMWOFIHV-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.87
Rot. Bonds4

About ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate

ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate (PubChem CID 171001780) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
PubChem CID171001780
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Nameethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OC)c(Br)c1C
InChIInChI=1S/C12H15BrO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3
InChIKeyATCVBCOMWOFIHV-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
ethyl 2-[2-bromo-6-(bromomethyl)-3-methoxyphenyl]acetate
CID 171006286
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806406
ethyl 2-[2-bromo-5-(bromomethyl)-3-methoxyphenyl]acetate
CID 171006243
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(2-cyano-3-fluoro-4-methoxyphenyl)acetate
CID 134653984
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
ethyl 2-[5-bromo-2-(bromomethyl)-3-methoxyphenyl]acetate
CID 171006287
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate (CID 171001780) is ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate is CCOC(=O)Cc1ccc(OC)c(Br)c1C.
What is the InChIKey of ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate?
The InChIKey is ATCVBCOMWOFIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-4-16-11(14)7-9-5-6-10(15-3)12(13)8(9)2/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate?
ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate has a molecular weight of 287.15 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate is sourced from PubChem (CID 171001780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).