2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one

C18H24ClNO4 — CID 71789575

IUPAC2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one
SMILESCC1(C)OCC2(CO1)CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H24ClNO4/c1-16(2,24-14-7-5-13(19)6-8-14)15(21)20-9-18(10-20)11-22-17(3,4)23-12-18/h5-8H,9-12H2,1-4H3
InChIKeyWHDUJTUFEBBASV-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one (PubChem CID 71789575) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one
PubChem CID71789575
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one
SMILESCC1(C)OCC2(CO1)CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H24ClNO4/c1-16(2,24-14-7-5-13(19)6-8-14)15(21)20-9-18(10-20)11-22-17(3,4)23-12-18/h5-8H,9-12H2,1-4H3
InChIKeyWHDUJTUFEBBASV-UHFFFAOYSA-N
XLogP3.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
CID 71785134
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119257975
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-[4-(4-chlorobenzoyl)phenoxy]-1-(4,4-dimethylpiperazin-4-ium-1-yl)-2-methylpropan-1-one iodide
CID 165164047
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone
CID 90537392
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
CID 131878857
CID 131878857
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159364

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one (CID 71789575) is 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one is CC1(C)OCC2(CO1)CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one?
The InChIKey is WHDUJTUFEBBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-16(2,24-14-7-5-13(19)6-8-14)15(21)20-9-18(10-20)11-22-17(3,4)23-12-18/h5-8H,9-12H2,1-4H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one has a molecular weight of 353.85 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 71789575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).