8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane

C15H19ClO2 — CID 79923323

IUPAC8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
SMILESCc1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClO2/c1-11-3-4-12(16)9-14(11)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyWWTOAHCAHDRDJU-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.13
Rot. Bonds2

About 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane

8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane (PubChem CID 79923323) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
PubChem CID79923323
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
SMILESCc1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClO2/c1-11-3-4-12(16)9-14(11)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyWWTOAHCAHDRDJU-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323370
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane (CID 79923323) is 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane is Cc1ccc(Cl)cc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane?
The InChIKey is WWTOAHCAHDRDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-11-3-4-12(16)9-14(11)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13H,2,5-8,10H2,1H3.
What are the key properties of 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane?
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane has a molecular weight of 266.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 79923323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).