3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine

C20H17Cl2NO2 — CID 57391814

IUPAC3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C20H17Cl2NO2/c1-14-7-9-19(20(23-14)15-5-3-2-4-6-15)25-12-11-24-18-10-8-16(21)13-17(18)22/h2-10,13H,11-12H2,1H3
InChIKeyVWVIAEYASGOZBI-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.82
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine

3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine (PubChem CID 57391814) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine
PubChem CID57391814
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C20H17Cl2NO2/c1-14-7-9-19(20(23-14)15-5-3-2-4-6-15)25-12-11-24-18-10-8-16(21)13-17(18)22/h2-10,13H,11-12H2,1H3
InChIKeyVWVIAEYASGOZBI-UHFFFAOYSA-N
XLogP5.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine (CID 57391814) is 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine?
The InChIKey is VWVIAEYASGOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-14-7-9-19(20(23-14)15-5-3-2-4-6-15)25-12-11-24-18-10-8-16(21)13-17(18)22/h2-10,13H,11-12H2,1H3.
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine?
3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine has a molecular weight of 374.27 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-phenylpyridine is sourced from PubChem (CID 57391814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).