8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline

C17H13Cl2NO — CID 43352208

IUPAC8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
SMILESCc1ccc2cccc(Oc3cccc(Cl)c3CCl)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(19)13(15)10-18/h2-9H,10H2,1H3
InChIKeyZAMISRBSUXATBR-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.73
Rot. Bonds3

About 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline

8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline (PubChem CID 43352208) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
PubChem CID43352208
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
SMILESCc1ccc2cccc(Oc3cccc(Cl)c3CCl)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(19)13(15)10-18/h2-9H,10H2,1H3
InChIKeyZAMISRBSUXATBR-UHFFFAOYSA-N
XLogP5.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline?
The IUPAC name of 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline (CID 43352208) is 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline.
What is the SMILES notation for 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline?
The canonical SMILES for 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline is Cc1ccc2cccc(Oc3cccc(Cl)c3CCl)c2n1.
What is the InChIKey of 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline?
The InChIKey is ZAMISRBSUXATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(19)13(15)10-18/h2-9H,10H2,1H3.
What are the key properties of 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline?
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline has a molecular weight of 318.20 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline is sourced from PubChem (CID 43352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).