2-(2,4,5-trichlorophenoxy)acetic acid

C8H5Cl3O3 — CID 1480

IUPAC2-(2,4,5-trichlorophenoxy)acetic acid
SMILESO=C(O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKeySMYMJHWAQXWPDB-UHFFFAOYSA-N
MW255.48 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,4,5-trichlorophenoxy)acetic acid

2-(2,4,5-trichlorophenoxy)acetic acid (PubChem CID 1480) has the molecular formula C8H5Cl3O3 and a molecular weight of 255.48 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenoxy)acetic acid
PubChem CID1480
Molecular FormulaC8H5Cl3O3
Molecular Weight255.48 g/mol
Exact Mass253.93
IUPAC Name2-(2,4,5-trichlorophenoxy)acetic acid
SMILESO=C(O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKeySMYMJHWAQXWPDB-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenoxy)acetic acid?
The IUPAC name of 2-(2,4,5-trichlorophenoxy)acetic acid (CID 1480) is 2-(2,4,5-trichlorophenoxy)acetic acid.
What is the SMILES notation for 2-(2,4,5-trichlorophenoxy)acetic acid?
The canonical SMILES for 2-(2,4,5-trichlorophenoxy)acetic acid is O=C(O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenoxy)acetic acid?
The InChIKey is SMYMJHWAQXWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(2,4,5-trichlorophenoxy)acetic acid?
2-(2,4,5-trichlorophenoxy)acetic acid has a molecular weight of 255.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenoxy)acetic acid is sourced from PubChem (CID 1480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).