2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid

C10H11BrO4 — CID 172907938

IUPAC2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
SMILESCOc1cc(C)cc(Br)c1OCC(=O)O
InChIInChI=1S/C10H11BrO4/c1-6-3-7(11)10(8(4-6)14-2)15-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCFDMUEOQGVOYGU-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid

2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid (PubChem CID 172907938) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
PubChem CID172907938
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
SMILESCOc1cc(C)cc(Br)c1OCC(=O)O
InChIInChI=1S/C10H11BrO4/c1-6-3-7(11)10(8(4-6)14-2)15-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCFDMUEOQGVOYGU-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
2-[2-bromo-6-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 50871453
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 840658
2-[2-bromo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
CID 50871454
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
CID 121210363
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
CID 130156250
2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
CID 97179050
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid?
The IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid (CID 172907938) is 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid?
The canonical SMILES for 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid is COc1cc(C)cc(Br)c1OCC(=O)O.
What is the InChIKey of 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid?
The InChIKey is CFDMUEOQGVOYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-6-3-7(11)10(8(4-6)14-2)15-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid?
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid has a molecular weight of 275.10 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid is sourced from PubChem (CID 172907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).