8-[4-chloro-2-(chloromethyl)phenoxy]quinoline

C16H11Cl2NO — CID 114847000

IUPAC8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1cc(Cl)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C16H11Cl2NO/c17-10-12-9-13(18)6-7-14(12)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H,10H2
InChIKeyBGIZNDVKOAFBIN-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.42
Rot. Bonds3

About 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline

8-[4-chloro-2-(chloromethyl)phenoxy]quinoline (PubChem CID 114847000) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
PubChem CID114847000
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
SMILESClCc1cc(Cl)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C16H11Cl2NO/c17-10-12-9-13(18)6-7-14(12)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H,10H2
InChIKeyBGIZNDVKOAFBIN-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
8-(chloromethoxy)quinoline
CID 79531226
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
1-(5-fluoro-2-quinolin-8-yloxyphenyl)-N-methylmethanamine
CID 43314311
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963

Frequently Asked Questions

What is the IUPAC name of 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The IUPAC name of 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline (CID 114847000) is 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline.
What is the SMILES notation for 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The canonical SMILES for 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline is ClCc1cc(Cl)ccc1Oc1cccc2cccnc12.
What is the InChIKey of 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
The InChIKey is BGIZNDVKOAFBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-10-12-9-13(18)6-7-14(12)20-15-5-1-3-11-4-2-8-19-16(11)15/h1-9H,10H2.
What are the key properties of 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline?
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-chloro-2-(chloromethyl)phenoxy]quinoline is sourced from PubChem (CID 114847000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).