3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol

C15H18BrFO2 — CID 81326492

IUPAC3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
SMILESOC1CC(Oc2cc(F)cc(Br)c2)C12CCCCC2
InChIInChI=1S/C15H18BrFO2/c16-10-6-11(17)8-12(7-10)19-14-9-13(18)15(14)4-2-1-3-5-15/h6-8,13-14,18H,1-5,9H2
InChIKeyUAFNOQGGWSVFAE-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.05
Rot. Bonds2

About 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol

3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol (PubChem CID 81326492) has the molecular formula C15H18BrFO2 and a molecular weight of 329.21 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
PubChem CID81326492
Molecular FormulaC15H18BrFO2
Molecular Weight329.21 g/mol
Exact Mass328.05
IUPAC Name3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
SMILESOC1CC(Oc2cc(F)cc(Br)c2)C12CCCCC2
InChIInChI=1S/C15H18BrFO2/c16-10-6-11(17)8-12(7-10)19-14-9-13(18)15(14)4-2-1-3-5-15/h6-8,13-14,18H,1-5,9H2
InChIKeyUAFNOQGGWSVFAE-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
CID 81325637
3-(3-bromo-5-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 81325638
3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
CID 66366462
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367315
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
trans-(1R,2R)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732660
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732659
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(4-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366874

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol (CID 81326492) is 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol is OC1CC(Oc2cc(F)cc(Br)c2)C12CCCCC2.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol?
The InChIKey is UAFNOQGGWSVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO2/c16-10-6-11(17)8-12(7-10)19-14-9-13(18)15(14)4-2-1-3-5-15/h6-8,13-14,18H,1-5,9H2.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol?
3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol has a molecular weight of 329.21 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol is sourced from PubChem (CID 81326492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).