2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane

C15H19BrO2 — CID 102898159

IUPAC2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESBrc1cccc(OCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C15H19BrO2/c16-12-4-3-5-13(10-12)17-11-14-6-9-15(18-14)7-1-2-8-15/h3-5,10,14H,1-2,6-9,11H2
InChIKeyLYVRCSSZLYNQCE-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.32
Rot. Bonds3

About 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane

2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102898159) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
PubChem CID102898159
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESBrc1cccc(OCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C15H19BrO2/c16-12-4-3-5-13(10-12)17-11-14-6-9-15(18-14)7-1-2-8-15/h3-5,10,14H,1-2,6-9,11H2
InChIKeyLYVRCSSZLYNQCE-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896328
5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzonitrile
CID 102898035
5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898225
5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzaldehyde
CID 102898194
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898765
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
3-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896680

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane (CID 102898159) is 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane is Brc1cccc(OCC2CCC3(CCCC3)O2)c1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is LYVRCSSZLYNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c16-12-4-3-5-13(10-12)17-11-14-6-9-15(18-14)7-1-2-8-15/h3-5,10,14H,1-2,6-9,11H2.
What are the key properties of 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane?
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 311.22 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102898159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).