2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C15H17Cl2NO3 — CID 63762229

IUPAC2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H17Cl2NO3/c16-9-1-4-14(13(17)5-9)21-8-15(20)18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2
InChIKeyPUZUETXOCWKBSA-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 63762229) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID63762229
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H17Cl2NO3/c16-9-1-4-14(13(17)5-9)21-8-15(20)18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2
InChIKeyPUZUETXOCWKBSA-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764706
2-(4-chlorophenoxy)-1-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]ethanone
CID 162632522
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
(2S,4S)-1-[2-(2,4-dichlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713514
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2,4-dichlorophenoxy)-1-[4-[2-(2-hydroxycyclopropyl)ethylamino]piperidin-1-yl]ethanone
CID 138580569
2-(2,4-dichlorophenoxy)-1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]ethanone
CID 133115148
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 63762229) is 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(COc1ccc(Cl)cc1Cl)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is PUZUETXOCWKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-9-1-4-14(13(17)5-9)21-8-15(20)18-10-2-3-11(18)7-12(19)6-10/h1,4-5,10-12,19H,2-3,6-8H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 330.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 63762229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).