8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H17Cl2NO3 — CID 68555817

IUPAC8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CC2)OCCO3)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-18-13-9-12(10(15)8-11(13)16)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3
InChIKeyUDVPWMDXCSIUHW-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.35
Rot. Bonds2

About 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 68555817) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID68555817
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC3(CC2)OCCO3)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-18-13-9-12(10(15)8-11(13)16)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3
InChIKeyUDVPWMDXCSIUHW-UHFFFAOYSA-N
XLogP3.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 68555817) is 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is COc1cc(N2CCC3(CC2)OCCO3)c(Cl)cc1Cl.
What is the InChIKey of 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UDVPWMDXCSIUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-18-13-9-12(10(15)8-11(13)16)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3.
What are the key properties of 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 318.20 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68555817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).