2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane

C16H20Cl2O2 — CID 102898767

IUPAC2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
SMILESClCc1ccc(OCC2CCC3(CCCC3)O2)c(Cl)c1
InChIInChI=1S/C16H20Cl2O2/c17-10-12-3-4-15(14(18)9-12)19-11-13-5-8-16(20-13)6-1-2-7-16/h3-4,9,13H,1-2,5-8,10-11H2
InChIKeyFWUOIMPUFWMVTB-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.95
Rot. Bonds4

About 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane

2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102898767) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
PubChem CID102898767
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
SMILESClCc1ccc(OCC2CCC3(CCCC3)O2)c(Cl)c1
InChIInChI=1S/C16H20Cl2O2/c17-10-12-3-4-15(14(18)9-12)19-11-13-5-8-16(20-13)6-1-2-7-16/h3-4,9,13H,1-2,5-8,10-11H2
InChIKeyFWUOIMPUFWMVTB-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.95
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-bromo-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898771
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749
2-[(2-bromo-4-methylphenoxy)methyl]-1-oxaspiro[4.5]decane
CID 102898163
5-chloro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896214
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
3-bromo-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898227
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane (CID 102898767) is 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane is ClCc1ccc(OCC2CCC3(CCCC3)O2)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is FWUOIMPUFWMVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c17-10-12-3-4-15(14(18)9-12)19-11-13-5-8-16(20-13)6-1-2-7-16/h3-4,9,13H,1-2,5-8,10-11H2.
What are the key properties of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane?
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 315.24 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102898767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).