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

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Related Compounds

8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456105
8-(2-chloro-4-methylsulfanylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904232
8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118905139
8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456120
N-(3-chloro-4-methoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956522
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
1-(2,4-dichloro-5-methoxyphenyl)pyrrole
CID 3520882
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
CID 143061730
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139

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).