6-[4-(chloromethyl)phenoxy]quinoline

C16H12ClNO — CID 82093013

IUPAC6-[4-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Oc2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H12ClNO/c17-11-12-3-5-14(6-4-12)19-15-7-8-16-13(10-15)2-1-9-18-16/h1-10H,11H2
InChIKeyQZJCGPMWDLYCGV-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.77
Rot. Bonds3

About 6-[4-(chloromethyl)phenoxy]quinoline

6-[4-(chloromethyl)phenoxy]quinoline (PubChem CID 82093013) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-[4-(chloromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name6-[4-(chloromethyl)phenoxy]quinoline
PubChem CID82093013
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name6-[4-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Oc2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H12ClNO/c17-11-12-3-5-14(6-4-12)19-15-7-8-16-13(10-15)2-1-9-18-16/h1-10H,11H2
InChIKeyQZJCGPMWDLYCGV-UHFFFAOYSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.77
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

7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
6-(2-chloroethyl)quinoline
CID 53404433
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
6-prop-2-enoxyquinoline
CID 21107330
1-quinolin-6-yloxypropan-2-amine
CID 86262441
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
ethene;6-methoxyquinoline
CID 174599262
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
2-quinolin-6-yloxyacetonitrile
CID 70448045

Frequently Asked Questions

What is the IUPAC name of 6-[4-(chloromethyl)phenoxy]quinoline?
The IUPAC name of 6-[4-(chloromethyl)phenoxy]quinoline (CID 82093013) is 6-[4-(chloromethyl)phenoxy]quinoline.
What is the SMILES notation for 6-[4-(chloromethyl)phenoxy]quinoline?
The canonical SMILES for 6-[4-(chloromethyl)phenoxy]quinoline is ClCc1ccc(Oc2ccc3ncccc3c2)cc1.
What is the InChIKey of 6-[4-(chloromethyl)phenoxy]quinoline?
The InChIKey is QZJCGPMWDLYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-11-12-3-5-14(6-4-12)19-15-7-8-16-13(10-15)2-1-9-18-16/h1-10H,11H2.
What are the key properties of 6-[4-(chloromethyl)phenoxy]quinoline?
6-[4-(chloromethyl)phenoxy]quinoline has a molecular weight of 269.73 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(chloromethyl)phenoxy]quinoline is sourced from PubChem (CID 82093013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).