2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium

C30H26Cl4N2O6 — CID 158365582

IUPAC2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium
SMILESC=Cc1cc[nH+]cc1.C=Cc1ccncc1.O=C(O)COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/2C8H6Cl2O3.2C7H7N/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;2*1-2-7-3-5-8-6-4-7/h2*1-3H,4H2,(H,11,12);2*2-6H,1H2
InChIKeyGTZITEPDHSOLEK-UHFFFAOYSA-N
MW652.36 g/mol
LogP6.45
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium

2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium (PubChem CID 158365582) has the molecular formula C30H26Cl4N2O6 and a molecular weight of 652.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium
PubChem CID158365582
Molecular FormulaC30H26Cl4N2O6
Molecular Weight652.36 g/mol
Exact Mass650.05
IUPAC Name2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium
SMILESC=Cc1cc[nH+]cc1.C=Cc1ccncc1.O=C(O)COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl
InChIInChI=1S/2C8H6Cl2O3.2C7H7N/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;2*1-2-7-3-5-8-6-4-7/h2*1-3H,4H2,(H,11,12);2*2-6H,1H2
InChIKeyGTZITEPDHSOLEK-UHFFFAOYSA-N
XLogP6.45
TPSA122.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.36
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid
CID 174624868
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium (CID 158365582) is 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium is C=Cc1cc[nH+]cc1.C=Cc1ccncc1.O=C(O)COc1ccc(Cl)cc1Cl.O=C([O-])COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium?
The InChIKey is GTZITEPDHSOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6Cl2O3.2C7H7N/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;2*1-2-7-3-5-8-6-4-7/h2*1-3H,4H2,(H,11,12);2*2-6H,1H2.
What are the key properties of 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium?
2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium has a molecular weight of 652.36 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium is sourced from PubChem (CID 158365582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).