8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline

C18H16ClNO — CID 63325423

IUPAC8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
SMILESCc1ccc(OCc2cccc3cccnc23)c(CCl)c1
InChIInChI=1S/C18H16ClNO/c1-13-7-8-17(16(10-13)11-19)21-12-15-5-2-4-14-6-3-9-20-18(14)15/h2-10H,11-12H2,1H3
InChIKeyHCLWFHYGQFVUJZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.86
Rot. Bonds4

About 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline

8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline (PubChem CID 63325423) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline.

Molecular Properties

Compound Name8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
PubChem CID63325423
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
SMILESCc1ccc(OCc2cccc3cccnc23)c(CCl)c1
InChIInChI=1S/C18H16ClNO/c1-13-7-8-17(16(10-13)11-19)21-12-15-5-2-4-14-6-3-9-20-18(14)15/h2-10H,11-12H2,1H3
InChIKeyHCLWFHYGQFVUJZ-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.86
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

1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline?
The IUPAC name of 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline (CID 63325423) is 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline.
What is the SMILES notation for 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline?
The canonical SMILES for 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline is Cc1ccc(OCc2cccc3cccnc23)c(CCl)c1.
What is the InChIKey of 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline?
The InChIKey is HCLWFHYGQFVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13-7-8-17(16(10-13)11-19)21-12-15-5-2-4-14-6-3-9-20-18(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline?
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline has a molecular weight of 297.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline is sourced from PubChem (CID 63325423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).