2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid

C11H13BrO5 — CID 121210363

IUPAC2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
SMILESCCOc1c(OC)cc(Br)cc1OCC(=O)O
InChIInChI=1S/C11H13BrO5/c1-3-16-11-8(15-2)4-7(12)5-9(11)17-6-10(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyQGZGVGUAIVLOFP-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.32
Rot. Bonds6

About 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid

2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid (PubChem CID 121210363) has the molecular formula C11H13BrO5 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
PubChem CID121210363
Molecular FormulaC11H13BrO5
Molecular Weight305.12 g/mol
Exact Mass303.99
IUPAC Name2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
SMILESCCOc1c(OC)cc(Br)cc1OCC(=O)O
InChIInChI=1S/C11H13BrO5/c1-3-16-11-8(15-2)4-7(12)5-9(11)17-6-10(13)14/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyQGZGVGUAIVLOFP-UHFFFAOYSA-N
XLogP2.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 22682315
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
2-(5-bromo-2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22682123
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 705633
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
CID 7139595
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
5-bromo-1-ethoxy-2-methoxy-3-nitrobenzene;methyl acetate
CID 174439392
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid (CID 121210363) is 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid is CCOc1c(OC)cc(Br)cc1OCC(=O)O.
What is the InChIKey of 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid?
The InChIKey is QGZGVGUAIVLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO5/c1-3-16-11-8(15-2)4-7(12)5-9(11)17-6-10(13)14/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid?
2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid has a molecular weight of 305.12 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid is sourced from PubChem (CID 121210363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).