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

C17H23ClO2 — CID 66344743

IUPAC3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
SMILESCCOc1cccc(OC2CC(Cl)C23CCCCC3)c1
InChIInChI=1S/C17H23ClO2/c1-2-19-13-7-6-8-14(11-13)20-16-12-15(18)17(16)9-4-3-5-10-17/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyAHBFXSJPHKRFNJ-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.79
Rot. Bonds4

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

3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane (PubChem CID 66344743) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
PubChem CID66344743
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
SMILESCCOc1cccc(OC2CC(Cl)C23CCCCC3)c1
InChIInChI=1S/C17H23ClO2/c1-2-19-13-7-6-8-14(11-13)20-16-12-15(18)17(16)9-4-3-5-10-17/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyAHBFXSJPHKRFNJ-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
CID 66344419
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
CID 66345879
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
CID 107388327
1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
CID 66345484
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
CID 66358408
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane (CID 66344743) is 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane is CCOc1cccc(OC2CC(Cl)C23CCCCC3)c1.
What is the InChIKey of 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane?
The InChIKey is AHBFXSJPHKRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-2-19-13-7-6-8-14(11-13)20-16-12-15(18)17(16)9-4-3-5-10-17/h6-8,11,15-16H,2-5,9-10,12H2,1H3.
What are the key properties of 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane?
3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane has a molecular weight of 294.82 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).