9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane

C15H17Cl3O3 — CID 79899968

IUPAC9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane
SMILESClCc1cc(Cl)cc(Cl)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H17Cl3O3/c16-8-10-5-11(17)6-13(18)14(10)21-12-1-3-20-15(7-12)2-4-19-9-15/h5-6,12H,1-4,7-9H2
InChIKeyZSXOLHWWSNYVQD-UHFFFAOYSA-N
MW351.66 g/mol
LogP4.45
Rot. Bonds3

About 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane

9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane (PubChem CID 79899968) has the molecular formula C15H17Cl3O3 and a molecular weight of 351.66 g/mol. Its IUPAC name is 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane
PubChem CID79899968
Molecular FormulaC15H17Cl3O3
Molecular Weight351.66 g/mol
Exact Mass350.02
IUPAC Name9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane
SMILESClCc1cc(Cl)cc(Cl)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H17Cl3O3/c16-8-10-5-11(17)6-13(18)14(10)21-12-1-3-20-15(7-12)2-4-19-9-15/h5-6,12H,1-4,7-9H2
InChIKeyZSXOLHWWSNYVQD-UHFFFAOYSA-N
XLogP4.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 54.45
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

3-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzaldehyde
CID 115955623
9-[4-bromo-2-(bromomethyl)-6-methylphenoxy]-2,6-dioxaspiro[4.5]decane
CID 115962401
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
CID 79901924
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79894610
2-chloro-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzonitrile
CID 102724034
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane (CID 79899968) is 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane is ClCc1cc(Cl)cc(Cl)c1OC1CCOC2(CCOC2)C1.
What is the InChIKey of 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane?
The InChIKey is ZSXOLHWWSNYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3O3/c16-8-10-5-11(17)6-13(18)14(10)21-12-1-3-20-15(7-12)2-4-19-9-15/h5-6,12H,1-4,7-9H2.
What are the key properties of 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane?
9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane has a molecular weight of 351.66 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 79899968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).