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

C14H21Cl2NO4 — CID 90479028

IUPAC2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol
SMILESCCN(CC)CCO.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C6H15NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-7(4-2)5-6-8/h1-3H,4H2,(H,11,12);8H,3-6H2,1-2H3
InChIKeyGKZWTHFJWQSRRK-UHFFFAOYSA-N
MW338.23 g/mol
LogP2.78
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol (PubChem CID 90479028) has the molecular formula C14H21Cl2NO4 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol
PubChem CID90479028
Molecular FormulaC14H21Cl2NO4
Molecular Weight338.23 g/mol
Exact Mass337.08
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol
SMILESCCN(CC)CCO.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C6H15NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-7(4-2)5-6-8/h1-3H,4H2,(H,11,12);8H,3-6H2,1-2H3
InChIKeyGKZWTHFJWQSRRK-UHFFFAOYSA-N
XLogP2.78
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol (CID 90479028) is 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol is CCN(CC)CCO.O=C(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol?
The InChIKey is GKZWTHFJWQSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C6H15NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-7(4-2)5-6-8/h1-3H,4H2,(H,11,12);8H,3-6H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol?
2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol has a molecular weight of 338.23 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetic acid;2-(diethylamino)ethanol is sourced from PubChem (CID 90479028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).