3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane

C16H21ClO2 — CID 66346345

IUPAC3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
SMILESClC1CC(OCCOc2ccccc2)C12CCCC2
InChIInChI=1S/C16H21ClO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyCJVHJZXNJZLDRG-UHFFFAOYSA-N
MW280.79 g/mol
LogP4.02
Rot. Bonds5

About 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane

3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane (PubChem CID 66346345) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
PubChem CID66346345
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane
SMILESClC1CC(OCCOc2ccccc2)C12CCCC2
InChIInChI=1S/C16H21ClO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyCJVHJZXNJZLDRG-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
CID 66357773
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
CID 66344419
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
CID 66345484
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
CID 107388327
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane (CID 66346345) is 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane is ClC1CC(OCCOc2ccccc2)C12CCCC2.
What is the InChIKey of 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane?
The InChIKey is CJVHJZXNJZLDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c17-14-12-15(16(14)8-4-5-9-16)19-11-10-18-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2.
What are the key properties of 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane?
3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane has a molecular weight of 280.79 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-phenoxyethoxy)spiro[3.4]octane is sourced from PubChem (CID 66346345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).