9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane

C16H21BrO2 — CID 107284316

IUPAC9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
SMILESCc1ccc(Br)cc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21BrO2/c1-12-4-5-13(17)10-15(12)19-14-6-9-18-16(11-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyGUTULXLSIHHNLB-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.63
Rot. Bonds2

About 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane

9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane (PubChem CID 107284316) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
PubChem CID107284316
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
SMILESCc1ccc(Br)cc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21BrO2/c1-12-4-5-13(17)10-15(12)19-14-6-9-18-16(11-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyGUTULXLSIHHNLB-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365

Frequently Asked Questions

What is the IUPAC name of 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane?
The IUPAC name of 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane (CID 107284316) is 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane is Cc1ccc(Br)cc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane?
The InChIKey is GUTULXLSIHHNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c1-12-4-5-13(17)10-15(12)19-14-6-9-18-16(11-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3.
What are the key properties of 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane?
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane has a molecular weight of 325.25 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane is sourced from PubChem (CID 107284316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).