8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C16H22ClNO2 — CID 118744287

IUPAC8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H22ClNO2/c1-19-14-10-16(20-12-14)6-8-18(9-7-16)11-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3
InChIKeyWCLUFQVXELRNQE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.11
Rot. Bonds3

About 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118744287) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID118744287
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H22ClNO2/c1-19-14-10-16(20-12-14)6-8-18(9-7-16)11-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3
InChIKeyWCLUFQVXELRNQE-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-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 118744287) is 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WCLUFQVXELRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-14-10-16(20-12-14)6-8-18(9-7-16)11-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3.
What are the key properties of 8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-[(2-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-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118744287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).