1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine

C20H27Cl2NO2 — CID 91346162

IUPAC1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine
SMILESCC(=O)c1cc(Cl)ccc1Cl.CCOCC(C)(C)C.c1ccncc1
InChIInChI=1S/C8H6Cl2O.C7H16O.C5H5N/c1-5(11)7-4-6(9)2-3-8(7)10;1-5-8-6-7(2,3)4;1-2-4-6-5-3-1/h2-4H,1H3;5-6H2,1-4H3;1-5H
InChIKeyZWENINBACPKEHC-UHFFFAOYSA-N
MW384.35 g/mol
LogP6.35
Rot. Bonds3

About 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine

1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine (PubChem CID 91346162) has the molecular formula C20H27Cl2NO2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine
PubChem CID91346162
Molecular FormulaC20H27Cl2NO2
Molecular Weight384.35 g/mol
Exact Mass383.14
IUPAC Name1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine
SMILESCC(=O)c1cc(Cl)ccc1Cl.CCOCC(C)(C)C.c1ccncc1
InChIInChI=1S/C8H6Cl2O.C7H16O.C5H5N/c1-5(11)7-4-6(9)2-3-8(7)10;1-5-8-6-7(2,3)4;1-2-4-6-5-3-1/h2-4H,1H3;5-6H2,1-4H3;1-5H
InChIKeyZWENINBACPKEHC-UHFFFAOYSA-N
XLogP6.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.35
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine 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

1-[4-(2,5-dichlorobenzoyl)phenyl]ethanone;1-ethoxy-2,2-dimethylpropane;pyridine
CID 91297138
(2,5-dichlorophenyl)-[4-(1H-imidazol-2-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
CID 91342881
(2,5-dichlorophenyl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
CID 90785876
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-chlorobenzene-1,2-dicarboxylate
CID 23502380
3-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpropanoic acid
CID 79623384
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724057
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
propyl 2,5-dichlorobenzoate
CID 43389536
2-acetyl-5-chlorobenzoic acid
CID 11229391
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine?
The IUPAC name of 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine (CID 91346162) is 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine?
The canonical SMILES for 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine is CC(=O)c1cc(Cl)ccc1Cl.CCOCC(C)(C)C.c1ccncc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine?
The InChIKey is ZWENINBACPKEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O.C7H16O.C5H5N/c1-5(11)7-4-6(9)2-3-8(7)10;1-5-8-6-7(2,3)4;1-2-4-6-5-3-1/h2-4H,1H3;5-6H2,1-4H3;1-5H.
What are the key properties of 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine?
1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine has a molecular weight of 384.35 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)ethanone;1-ethoxy-2,2-dimethylpropane;pyridine is sourced from PubChem (CID 91346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).