3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane

C15H18Cl2O — CID 66344419

IUPAC3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
SMILESClc1cccc(OC2CC(Cl)C23CCCCC3)c1
InChIInChI=1S/C15H18Cl2O/c16-11-5-4-6-12(9-11)18-14-10-13(17)15(14)7-2-1-3-8-15/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyPMIKRDIXJHZJEX-UHFFFAOYSA-N
MW285.21 g/mol
LogP5.05
Rot. Bonds2

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

3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane (PubChem CID 66344419) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
PubChem CID66344419
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
SMILESClc1cccc(OC2CC(Cl)C23CCCCC3)c1
InChIInChI=1S/C15H18Cl2O/c16-11-5-4-6-12(9-11)18-14-10-13(17)15(14)7-2-1-3-8-15/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyPMIKRDIXJHZJEX-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.21
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane (CID 66344419) is 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane is Clc1cccc(OC2CC(Cl)C23CCCCC3)c1.
What is the InChIKey of 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane?
The InChIKey is PMIKRDIXJHZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O/c16-11-5-4-6-12(9-11)18-14-10-13(17)15(14)7-2-1-3-8-15/h4-6,9,13-14H,1-3,7-8,10H2.
What are the key properties of 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane?
3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane has a molecular weight of 285.21 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66344419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).