8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C16H22ClNO2 — CID 118743839

IUPAC8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H22ClNO2/c1-19-15-10-16(20-12-15)5-7-18(8-6-16)11-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3
InChIKeyJOXPACFJMMKUIV-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.11
Rot. Bonds3

About 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118743839) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID118743839
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H22ClNO2/c1-19-15-10-16(20-12-15)5-7-18(8-6-16)11-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3
InChIKeyJOXPACFJMMKUIV-UHFFFAOYSA-N
XLogP3.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 118743839) is 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(Cc3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JOXPACFJMMKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-15-10-16(20-12-15)5-7-18(8-6-16)11-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3.
What are the key properties of 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 295.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118743839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).