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

C9H8BrClO3 — CID 2427319

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C9H8BrClO3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKOQAMZSTLDPEJM-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.87
Rot. Bonds3

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

2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid (PubChem CID 2427319) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid
PubChem CID2427319
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C9H8BrClO3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKOQAMZSTLDPEJM-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid (CID 2427319) is 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid is Cc1cc(Br)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid?
The InChIKey is KOQAMZSTLDPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid?
2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid has a molecular weight of 279.52 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid is sourced from PubChem (CID 2427319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).