8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline

C19H18ClNO2 — CID 2282895

IUPAC8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline
SMILESCc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl
InChIInChI=1S/C19H18ClNO2/c1-13-11-16(12-14(2)18(13)20)22-9-10-23-17-7-3-5-15-6-4-8-21-19(15)17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyJXRQZXBZIQEWOC-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.96
Rot. Bonds5

About 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline

8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline (PubChem CID 2282895) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline
PubChem CID2282895
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline
SMILESCc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl
InChIInChI=1S/C19H18ClNO2/c1-13-11-16(12-14(2)18(13)20)22-9-10-23-17-7-3-5-15-6-4-8-21-19(15)17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyJXRQZXBZIQEWOC-UHFFFAOYSA-N
XLogP4.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.96
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 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline?
The IUPAC name of 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline (CID 2282895) is 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline.
What is the SMILES notation for 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline?
The canonical SMILES for 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline is Cc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl.
What is the InChIKey of 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline?
The InChIKey is JXRQZXBZIQEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-13-11-16(12-14(2)18(13)20)22-9-10-23-17-7-3-5-15-6-4-8-21-19(15)17/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline?
8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline has a molecular weight of 327.81 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline is sourced from PubChem (CID 2282895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).