2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid

C12H15BrO3 — CID 117463086

IUPAC2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C)cc(Br)c(C(C)C(=O)O)c1C
InChIInChI=1S/C12H15BrO3/c1-6-5-9(13)10(8(3)12(14)15)7(2)11(6)16-4/h5,8H,1-4H3,(H,14,15)
InChIKeyAURHRRDFOFIEKJ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.26
Rot. Bonds3

About 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid

2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid (PubChem CID 117463086) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
PubChem CID117463086
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C)cc(Br)c(C(C)C(=O)O)c1C
InChIInChI=1S/C12H15BrO3/c1-6-5-9(13)10(8(3)12(14)15)7(2)11(6)16-4/h5,8H,1-4H3,(H,14,15)
InChIKeyAURHRRDFOFIEKJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
2-(2-bromo-4,5-dimethoxy-3-methylphenyl)propanoic acid
CID 154304830
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117321884
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
2-amino-3-(3-bromo-4-methoxy-5-methylphenyl)propanoic acid
CID 117464888

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid (CID 117463086) is 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid is COc1c(C)cc(Br)c(C(C)C(=O)O)c1C.
What is the InChIKey of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid?
The InChIKey is AURHRRDFOFIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-6-5-9(13)10(8(3)12(14)15)7(2)11(6)16-4/h5,8H,1-4H3,(H,14,15).
What are the key properties of 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid?
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid has a molecular weight of 287.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117463086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).