9-(2-bromophenoxy)-6-oxaspiro[4.5]decane

C15H19BrO2 — CID 79905452

IUPAC9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
SMILESBrc1ccccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19BrO2/c16-13-5-1-2-6-14(13)18-12-7-10-17-15(11-12)8-3-4-9-15/h1-2,5-6,12H,3-4,7-11H2
InChIKeyUUSRXSKSVVUNNF-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.32
Rot. Bonds2

About 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane

9-(2-bromophenoxy)-6-oxaspiro[4.5]decane (PubChem CID 79905452) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
PubChem CID79905452
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
SMILESBrc1ccccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19BrO2/c16-13-5-1-2-6-14(13)18-12-7-10-17-15(11-12)8-3-4-9-15/h1-2,5-6,12H,3-4,7-11H2
InChIKeyUUSRXSKSVVUNNF-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
[3-bromo-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methanamine
CID 79904447
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
4-[2-bromo-6-(bromomethyl)phenoxy]-1-oxaspiro[5.5]undecane
CID 79900229
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane?
The IUPAC name of 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane (CID 79905452) is 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane is Brc1ccccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane?
The InChIKey is UUSRXSKSVVUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c16-13-5-1-2-6-14(13)18-12-7-10-17-15(11-12)8-3-4-9-15/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane?
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane has a molecular weight of 311.22 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenoxy)-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79905452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).