2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone

C18H24ClNO3 — CID 111456899

IUPAC2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C18H24ClNO3/c1-2-23-16-12-15(21)18(16)7-9-20(10-8-18)17(22)11-13-5-3-4-6-14(13)19/h3-6,15-16,21H,2,7-12H2,1H3
InChIKeyBCHNNTXNZLBSJG-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone

2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 111456899) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID111456899
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C18H24ClNO3/c1-2-23-16-12-15(21)18(16)7-9-20(10-8-18)17(22)11-13-5-3-4-6-14(13)19/h3-6,15-16,21H,2,7-12H2,1H3
InChIKeyBCHNNTXNZLBSJG-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
(3-chloro-2-methylphenyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627683
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97216063
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78087863
(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216107
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 70726740

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone (CID 111456899) is 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone is CCOC1CC(O)C12CCN(C(=O)Cc1ccccc1Cl)CC2.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is BCHNNTXNZLBSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-2-23-16-12-15(21)18(16)7-9-20(10-8-18)17(22)11-13-5-3-4-6-14(13)19/h3-6,15-16,21H,2,7-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 337.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 111456899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).