4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane

C17H19ClO2 — CID 62385709

IUPAC4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
SMILESClCc1c(OCC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C17H19ClO2/c18-11-16-15-4-2-1-3-14(15)5-6-17(16)20-12-13-7-9-19-10-8-13/h1-6,13H,7-12H2
InChIKeyVVHASTSZHBEWGE-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.38
Rot. Bonds4

About 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane

4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane (PubChem CID 62385709) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
PubChem CID62385709
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
SMILESClCc1c(OCC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C17H19ClO2/c18-11-16-15-4-2-1-3-14(15)5-6-17(16)20-12-13-7-9-19-10-8-13/h1-6,13H,7-12H2
InChIKeyVVHASTSZHBEWGE-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.38
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-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
4-[(1-ethenylnaphthalen-2-yl)oxymethyl]oxane
CID 176513410
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531762
1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 43505685
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
4-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxane
CID 63320632
1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane?
The IUPAC name of 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane (CID 62385709) is 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane.
What is the SMILES notation for 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane?
The canonical SMILES for 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane is ClCc1c(OCC2CCOCC2)ccc2ccccc12.
What is the InChIKey of 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane?
The InChIKey is VVHASTSZHBEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c18-11-16-15-4-2-1-3-14(15)5-6-17(16)20-12-13-7-9-19-10-8-13/h1-6,13H,7-12H2.
What are the key properties of 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane?
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane has a molecular weight of 290.79 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane is sourced from PubChem (CID 62385709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).