2,4-D, propylene glycol butyl ether ester

C15H20Cl2O4 — CID 14840

IUPAC2-butoxypropyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChIInChI=1S/C15H20Cl2O4/c1-3-4-7-19-11(2)9-21-15(18)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyLRWRQXJLRYTGCK-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.70
Rot. Bonds10

About 2,4-D, propylene glycol butyl ether ester

2,4-D, propylene glycol butyl ether ester (PubChem CID 14840) has the molecular formula C15H20Cl2O4 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-butoxypropyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name2,4-D, propylene glycol butyl ether ester
PubChem CID14840
Molecular FormulaC15H20Cl2O4
Molecular Weight335.20 g/mol
Exact Mass334.07
IUPAC Name2-butoxypropyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChIInChI=1S/C15H20Cl2O4/c1-3-4-7-19-11(2)9-21-15(18)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyLRWRQXJLRYTGCK-UHFFFAOYSA-N
XLogP4.70
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-D, propylene glycol butyl ether ester 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

Clofibrate
CID 2796
(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
2,4-D-Dimethylammonium
CID 16180
Trichlorophenoxyacetic acid
CID 1480
Diclofop-methyl
CID 39985
2,4-D n-butyl ester
CID 7206
2,4-D-sodium
CID 23676704
4-(2,4-Dichlorophenoxy)butyric acid
CID 1489
Dichlorprop
CID 8427
(4-Chlorophenoxy)acetic acid
CID 26229
Fenoprop
CID 7158
2-Ethylhexyl (2,4-dichlorophenoxy)acetate
CID 61286

Frequently Asked Questions

What is the IUPAC name of 2,4-D, propylene glycol butyl ether ester?
The IUPAC name of 2,4-D, propylene glycol butyl ether ester (CID 14840) is 2-butoxypropyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 2,4-D, propylene glycol butyl ether ester?
The canonical SMILES for 2,4-D, propylene glycol butyl ether ester is CCCCOC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl.
What is the InChIKey of 2,4-D, propylene glycol butyl ether ester?
The InChIKey is LRWRQXJLRYTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O4/c1-3-4-7-19-11(2)9-21-15(18)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2,4-D, propylene glycol butyl ether ester?
2,4-D, propylene glycol butyl ether ester has a molecular weight of 335.20 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-D, propylene glycol butyl ether ester is sourced from PubChem (CID 14840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).