3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane

C18H25ClO — CID 66345879

IUPAC3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
SMILESCCc1ccc(OC2CC(Cl)C23CCCCCC3)cc1
InChIInChI=1S/C18H25ClO/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,16-17H,2-6,11-13H2,1H3
InChIKeyKXWLOUIXAQZVKX-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.35
Rot. Bonds3

About 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane

3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane (PubChem CID 66345879) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane.

Molecular Properties

Compound Name3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
PubChem CID66345879
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
SMILESCCc1ccc(OC2CC(Cl)C23CCCCCC3)cc1
InChIInChI=1S/C18H25ClO/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,16-17H,2-6,11-13H2,1H3
InChIKeyKXWLOUIXAQZVKX-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.35
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

3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
CID 66343590
1-(4-tert-butylphenoxy)-3-chlorospiro[3.5]nonane
CID 66345050
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866
3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
3-chloro-1-[4-(trifluoromethyl)phenoxy]spiro[3.4]octane
CID 66343448
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
CID 66344419
1-(4-ethylphenoxy)spiro[3.6]decan-3-one
CID 66368427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane?
The IUPAC name of 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane (CID 66345879) is 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane.
What is the SMILES notation for 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane?
The canonical SMILES for 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane is CCc1ccc(OC2CC(Cl)C23CCCCCC3)cc1.
What is the InChIKey of 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane?
The InChIKey is KXWLOUIXAQZVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,16-17H,2-6,11-13H2,1H3.
What are the key properties of 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane?
3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane has a molecular weight of 292.85 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane is sourced from PubChem (CID 66345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).