3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane

C15H17Br2ClO — CID 66346019

IUPAC3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
SMILESClC1CC(Oc2ccc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C15H17Br2ClO/c16-10-4-5-12(11(17)8-10)19-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyGYEZVXNJKVQAQC-UHFFFAOYSA-N
MW408.56 g/mol
LogP5.92
Rot. Bonds2

About 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane

3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane (PubChem CID 66346019) has the molecular formula C15H17Br2ClO and a molecular weight of 408.56 g/mol. Its IUPAC name is 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
PubChem CID66346019
Molecular FormulaC15H17Br2ClO
Molecular Weight408.56 g/mol
Exact Mass405.93
IUPAC Name3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
SMILESClC1CC(Oc2ccc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C15H17Br2ClO/c16-10-4-5-12(11(17)8-10)19-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyGYEZVXNJKVQAQC-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
1-(2-bromo-4-methoxyphenoxy)-3-chlorospiro[3.5]nonane
CID 104708695
1-(5-bromo-2-chlorophenoxy)-3-chlorospiro[3.6]decane
CID 66345592
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
1-(4-bromo-2-nitrophenoxy)-3-chlorospiro[3.4]octane
CID 66344136
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711
3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane (CID 66346019) is 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane is ClC1CC(Oc2ccc(Br)cc2Br)C12CCCCC2.
What is the InChIKey of 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane?
The InChIKey is GYEZVXNJKVQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2ClO/c16-10-4-5-12(11(17)8-10)19-14-9-13(18)15(14)6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7,9H2.
What are the key properties of 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane?
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane has a molecular weight of 408.56 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66346019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).