4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline

C18H16ClNO — CID 79231433

IUPAC4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
SMILESCc1cc(COc2ccccc2CCl)c2ccccc2n1
InChIInChI=1S/C18H16ClNO/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,11-12H2,1H3
InChIKeyGOUSNDRGKXPESX-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.86
Rot. Bonds4

About 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline

4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline (PubChem CID 79231433) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
PubChem CID79231433
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
SMILESCc1cc(COc2ccccc2CCl)c2ccccc2n1
InChIInChI=1S/C18H16ClNO/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,11-12H2,1H3
InChIKeyGOUSNDRGKXPESX-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

[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
CID 75511404
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438
(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline?
The IUPAC name of 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline (CID 79231433) is 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline.
What is the SMILES notation for 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline?
The canonical SMILES for 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline is Cc1cc(COc2ccccc2CCl)c2ccccc2n1.
What is the InChIKey of 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline?
The InChIKey is GOUSNDRGKXPESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,11-12H2,1H3.
What are the key properties of 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline?
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline 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 4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline is sourced from PubChem (CID 79231433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).