3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione

C17H18Cl2O4 — CID 91192432

IUPAC3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
SMILESCOC1CCC2(CC1)OC(=O)C(c1c(C)ccc(Cl)c1Cl)C2=O
InChIInChI=1S/C17H18Cl2O4/c1-9-3-4-11(18)14(19)12(9)13-15(20)17(23-16(13)21)7-5-10(22-2)6-8-17/h3-4,10,13H,5-8H2,1-2H3
InChIKeyBRUWOMNLMZVAOF-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.84
Rot. Bonds2

About 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione

3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione (PubChem CID 91192432) has the molecular formula C17H18Cl2O4 and a molecular weight of 357.23 g/mol. Its IUPAC name is 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
PubChem CID91192432
Molecular FormulaC17H18Cl2O4
Molecular Weight357.23 g/mol
Exact Mass356.06
IUPAC Name3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
SMILESCOC1CCC2(CC1)OC(=O)C(c1c(C)ccc(Cl)c1Cl)C2=O
InChIInChI=1S/C17H18Cl2O4/c1-9-3-4-11(18)14(19)12(9)13-15(20)17(23-16(13)21)7-5-10(22-2)6-8-17/h3-4,10,13H,5-8H2,1-2H3
InChIKeyBRUWOMNLMZVAOF-UHFFFAOYSA-N
XLogP3.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91417294
3-[2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]phenyl]-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione
CID 91026722
3-(4-bromo-2-chloro-6-methylphenyl)-8-(trifluoromethyl)-1-oxaspiro[4.5]decane-2,4-dione
CID 91051989
8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91251101
3-(2,4-dichlorophenyl)-8-(2,2,2-trifluoroethoxy)-1-oxaspiro[4.5]decane-2,4-dione
CID 68574440
8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 90771899
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 68774668
[3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
CID 23390514
[3-(2-chloro-4-methylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 18684687
3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione
CID 54310651
6,8,9,12-tetramethyl-2,11,13-trioxatetracyclo[12.2.2.11,4.05,10]nonadeca-5,7,9-triene-3,19-dione
CID 141235989
8-methoxy-3-nitroso-3-(2,4,5-trimethylphenyl)-1-oxaspiro[4.5]decane-2,4-dione
CID 89192249

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione (CID 91192432) is 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione is COC1CCC2(CC1)OC(=O)C(c1c(C)ccc(Cl)c1Cl)C2=O.
What is the InChIKey of 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione?
The InChIKey is BRUWOMNLMZVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O4/c1-9-3-4-11(18)14(19)12(9)13-15(20)17(23-16(13)21)7-5-10(22-2)6-8-17/h3-4,10,13H,5-8H2,1-2H3.
What are the key properties of 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione?
3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione has a molecular weight of 357.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloro-6-methylphenyl)-8-methoxy-1-oxaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91192432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).