2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane

C16H17ClO3 — CID 62805109

IUPAC2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
SMILESCOc1ccc2cc(C(Cl)C3COCCO3)ccc2c1
InChIInChI=1S/C16H17ClO3/c1-18-14-5-4-11-8-13(3-2-12(11)9-14)16(17)15-10-19-6-7-20-15/h2-5,8-9,15-16H,6-7,10H2,1H3
InChIKeyIUBGUVQXNMWLKE-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.54
Rot. Bonds3

About 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane

2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane (PubChem CID 62805109) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
PubChem CID62805109
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
SMILESCOc1ccc2cc(C(Cl)C3COCCO3)ccc2c1
InChIInChI=1S/C16H17ClO3/c1-18-14-5-4-11-8-13(3-2-12(11)9-14)16(17)15-10-19-6-7-20-15/h2-5,8-9,15-16H,6-7,10H2,1H3
InChIKeyIUBGUVQXNMWLKE-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
CID 62906933
5-[chloro(1,4-dioxan-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 55119762
2-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
2-[chloro-(4-phenylphenyl)methyl]-1,4-dioxane
CID 62804372
N-[1,4-dioxan-2-yl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 162409373
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-1,4-dioxane
CID 55119715
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
1-(1,4-dioxan-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 55119570
7-[chloro(1,4-dioxan-2-yl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
CID 63105980
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane?
The IUPAC name of 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane (CID 62805109) is 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane.
What is the SMILES notation for 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane?
The canonical SMILES for 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane is COc1ccc2cc(C(Cl)C3COCCO3)ccc2c1.
What is the InChIKey of 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane?
The InChIKey is IUBGUVQXNMWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-18-14-5-4-11-8-13(3-2-12(11)9-14)16(17)15-10-19-6-7-20-15/h2-5,8-9,15-16H,6-7,10H2,1H3.
What are the key properties of 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane?
2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane has a molecular weight of 292.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane is sourced from PubChem (CID 62805109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).