4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane

C15H19BrO3 — CID 79905383

IUPAC4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
SMILESBrc1ccccc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H19BrO3/c16-13-3-1-2-4-14(13)19-12-5-8-18-15(11-12)6-9-17-10-7-15/h1-4,12H,5-11H2
InChIKeyVODDTGSOTYSCRD-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.56
Rot. Bonds2

About 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane

4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane (PubChem CID 79905383) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
PubChem CID79905383
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
SMILESBrc1ccccc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H19BrO3/c16-13-3-1-2-4-14(13)19-12-5-8-18-15(11-12)6-9-17-10-7-15/h1-4,12H,5-11H2
InChIKeyVODDTGSOTYSCRD-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
3-bromo-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 103588032

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane (CID 79905383) is 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane is Brc1ccccc1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane?
The InChIKey is VODDTGSOTYSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c16-13-3-1-2-4-14(13)19-12-5-8-18-15(11-12)6-9-17-10-7-15/h1-4,12H,5-11H2.
What are the key properties of 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane?
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane has a molecular weight of 327.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 79905383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).