2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone

C17H22ClNO3 — CID 118771498

IUPAC2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
SMILESO=C(C(O)c1cccc(Cl)c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C17H22ClNO3/c18-14-4-1-3-13(11-14)15(20)16(21)19-8-2-5-17(12-19)6-9-22-10-7-17/h1,3-4,11,15,20H,2,5-10,12H2
InChIKeyDJUDFFZUSHJDEI-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone

2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone (PubChem CID 118771498) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
PubChem CID118771498
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
SMILESO=C(C(O)c1cccc(Cl)c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C17H22ClNO3/c18-14-4-1-3-13(11-14)15(20)16(21)19-8-2-5-17(12-19)6-9-22-10-7-17/h1,3-4,11,15,20H,2,5-10,12H2
InChIKeyDJUDFFZUSHJDEI-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-phenylethanone
CID 102849931
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96574170
1-[2-[1-[2-(3-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70752183
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
4-methyl-2-[(2S)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 137124825
2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
CID 121496958
2-[1-(3-bromophenyl)cyclopropyl]-6-[2-(3-chlorophenyl)-2-hydroxyacetyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 175367292
N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 118771507
N-[2-(3-chlorophenoxy)ethyl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 166322226

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone (CID 118771498) is 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone is O=C(C(O)c1cccc(Cl)c1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?
The InChIKey is DJUDFFZUSHJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-14-4-1-3-13(11-14)15(20)16(21)19-8-2-5-17(12-19)6-9-22-10-7-17/h1,3-4,11,15,20H,2,5-10,12H2.
What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone?
2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone has a molecular weight of 323.82 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone is sourced from PubChem (CID 118771498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).