8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C16H22ClNO2 — CID 118905139

IUPAC8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCc1ccc(N2CCC3(CC2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-2-3-13-4-5-15(14(17)12-13)18-8-6-16(7-9-18)19-10-11-20-16/h4-5,12H,2-3,6-11H2,1H3
InChIKeyQTGRBOSGNYETSI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.64
Rot. Bonds3

About 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 118905139) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID118905139
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCc1ccc(N2CCC3(CC2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-2-3-13-4-5-15(14(17)12-13)18-8-6-16(7-9-18)19-10-11-20-16/h4-5,12H,2-3,6-11H2,1H3
InChIKeyQTGRBOSGNYETSI-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 118905139) is 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is CCCc1ccc(N2CCC3(CC2)OCCO3)c(Cl)c1.
What is the InChIKey of 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is QTGRBOSGNYETSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-3-13-4-5-15(14(17)12-13)18-8-6-16(7-9-18)19-10-11-20-16/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 295.81 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118905139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).