2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol

C12H17Cl2NO5 — CID 16825

IUPAC2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)COc1ccc(Cl)cc1Cl.OCCNCCO
InChIInChI=1S/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2
InChIKeyFDMDZIBZKGXZPT-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.02
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol

2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 16825) has the molecular formula C12H17Cl2NO5 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID16825
Molecular FormulaC12H17Cl2NO5
Molecular Weight326.18 g/mol
Exact Mass325.05
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)COc1ccc(Cl)cc1Cl.OCCNCCO
InChIInChI=1S/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2
InChIKeyFDMDZIBZKGXZPT-UHFFFAOYSA-N
XLogP1.02
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol (CID 16825) is 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol is O=C(O)COc1ccc(Cl)cc1Cl.OCCNCCO.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is FDMDZIBZKGXZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2.
What are the key properties of 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol?
2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 326.18 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 16825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).