8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane

C14H17BrO2 — CID 79906398

IUPAC8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
SMILESBrc1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C14H17BrO2/c15-11-3-1-4-12(9-11)17-13-5-8-16-14(10-13)6-2-7-14/h1,3-4,9,13H,2,5-8,10H2
InChIKeyGEOGAANOZWKDEV-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.93
Rot. Bonds2

About 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane

8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane (PubChem CID 79906398) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
PubChem CID79906398
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
SMILESBrc1cccc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C14H17BrO2/c15-11-3-1-4-12(9-11)17-13-5-8-16-14(10-13)6-2-7-14/h1,3-4,9,13H,2,5-8,10H2
InChIKeyGEOGAANOZWKDEV-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
potassium trifluoro-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 79900555
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
4,4,5,5-tetramethyl-2-[3-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 113252337
3-(3-bromophenoxy)oxetane
CID 83487082
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 79900430

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane (CID 79906398) is 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane is Brc1cccc(OC2CCOC3(CCC3)C2)c1.
What is the InChIKey of 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane?
The InChIKey is GEOGAANOZWKDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-11-3-1-4-12(9-11)17-13-5-8-16-14(10-13)6-2-7-14/h1,3-4,9,13H,2,5-8,10H2.
What are the key properties of 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane?
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane has a molecular weight of 297.19 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 79906398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).