3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane

C15H18BrClO — CID 66344838

IUPAC3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane
SMILESClc1ccccc1OC1CC(Br)C12CCCCC2
InChIInChI=1S/C15H18BrClO/c16-13-10-14(15(13)8-4-1-5-9-15)18-12-7-3-2-6-11(12)17/h2-3,6-7,13-14H,1,4-5,8-10H2
InChIKeySKROZEOOTLNODJ-UHFFFAOYSA-N
MW329.66 g/mol
LogP5.21
Rot. Bonds2

About 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane

3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane (PubChem CID 66344838) has the molecular formula C15H18BrClO and a molecular weight of 329.66 g/mol. Its IUPAC name is 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane
PubChem CID66344838
Molecular FormulaC15H18BrClO
Molecular Weight329.66 g/mol
Exact Mass328.02
IUPAC Name3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane
SMILESClc1ccccc1OC1CC(Br)C12CCCCC2
InChIInChI=1S/C15H18BrClO/c16-13-10-14(15(13)8-4-1-5-9-15)18-12-7-3-2-6-11(12)17/h2-3,6-7,13-14H,1,4-5,8-10H2
InChIKeySKROZEOOTLNODJ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.66
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-(2,5-dichlorophenoxy)spiro[3.5]nonane
CID 66345459
3-bromo-1-(2-chloro-5-methylphenoxy)spiro[3.5]nonane
CID 66345352
3-bromo-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66344082
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
3-bromo-1-(2,3-difluorophenoxy)spiro[3.4]octane
CID 66343922
3-bromo-1-(4-chloro-2-methylphenoxy)spiro[3.6]decane
CID 66346111
3-bromo-1-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
CID 82718582
3-bromo-1-(2-bromo-4-chloro-5-fluorophenoxy)spiro[3.4]octane
CID 114042874
3-bromo-1-(2-methyl-3-nitrophenoxy)spiro[3.5]nonane
CID 66345775
5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline
CID 103046075

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane (CID 66344838) is 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane is Clc1ccccc1OC1CC(Br)C12CCCCC2.
What is the InChIKey of 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane?
The InChIKey is SKROZEOOTLNODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c16-13-10-14(15(13)8-4-1-5-9-15)18-12-7-3-2-6-11(12)17/h2-3,6-7,13-14H,1,4-5,8-10H2.
What are the key properties of 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane?
3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane has a molecular weight of 329.66 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66344838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).