4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane

C17H19ClO2 — CID 62906933

IUPAC4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
SMILESCOc1ccc2cc(C(Cl)C3CCOCC3)ccc2c1
InChIInChI=1S/C17H19ClO2/c1-19-16-5-4-13-10-15(3-2-14(13)11-16)17(18)12-6-8-20-9-7-12/h2-5,10-12,17H,6-9H2,1H3
InChIKeyCKIUQVYANVSOAL-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.55
Rot. Bonds3

About 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane

4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane (PubChem CID 62906933) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane.

Molecular Properties

Compound Name4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
PubChem CID62906933
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
SMILESCOc1ccc2cc(C(Cl)C3CCOCC3)ccc2c1
InChIInChI=1S/C17H19ClO2/c1-19-16-5-4-13-10-15(3-2-14(13)11-16)17(18)12-6-8-20-9-7-12/h2-5,10-12,17H,6-9H2,1H3
InChIKeyCKIUQVYANVSOAL-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.55
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-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
CID 62805109
2-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
CID 63444266
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
4-[bromo-(2-bromo-4-methoxyphenyl)methyl]oxane
CID 62906753
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55132757
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane?
The IUPAC name of 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane (CID 62906933) is 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane.
What is the SMILES notation for 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane?
The canonical SMILES for 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane is COc1ccc2cc(C(Cl)C3CCOCC3)ccc2c1.
What is the InChIKey of 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane?
The InChIKey is CKIUQVYANVSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-19-16-5-4-13-10-15(3-2-14(13)11-16)17(18)12-6-8-20-9-7-12/h2-5,10-12,17H,6-9H2,1H3.
What are the key properties of 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane?
4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane has a molecular weight of 290.79 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane is sourced from PubChem (CID 62906933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).