3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane

C16H21ClO2 — CID 66346319

IUPAC3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
SMILESCOc1ccc(OC2CC(Cl)C23CCCCC3)cc1
InChIInChI=1S/C16H21ClO2/c1-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-2-4-10-16/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyOSVCTHBTBGBRPM-UHFFFAOYSA-N
MW280.79 g/mol
LogP4.40
Rot. Bonds3

About 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane

3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane (PubChem CID 66346319) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
PubChem CID66346319
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
SMILESCOc1ccc(OC2CC(Cl)C23CCCCC3)cc1
InChIInChI=1S/C16H21ClO2/c1-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-2-4-10-16/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyOSVCTHBTBGBRPM-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.40
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-(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-(4-ethylphenoxy)spiro[3.6]decane
CID 66345879
1-(2-bromo-4-methoxyphenoxy)-3-chlorospiro[3.5]nonane
CID 104708695
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-chloro-1-[4-(trifluoromethyl)phenoxy]spiro[3.4]octane
CID 66343448
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-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
CID 107388327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane (CID 66346319) is 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane is COc1ccc(OC2CC(Cl)C23CCCCC3)cc1.
What is the InChIKey of 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane?
The InChIKey is OSVCTHBTBGBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-2-4-10-16/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane?
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane has a molecular weight of 280.79 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66346319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).