2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone

C16H21NO3 — CID 75518815

IUPAC2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCOCC12CCCC2
InChIInChI=1S/C16H21NO3/c18-14-5-3-4-13(10-14)11-15(19)17-8-9-20-12-16(17)6-1-2-7-16/h3-5,10,18H,1-2,6-9,11-12H2
InChIKeyUAKKBNCDDJLZOH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.11
Rot. Bonds2

About 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone

2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone (PubChem CID 75518815) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
PubChem CID75518815
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCOCC12CCCC2
InChIInChI=1S/C16H21NO3/c18-14-5-3-4-13(10-14)11-15(19)17-8-9-20-12-16(17)6-1-2-7-16/h3-5,10,18H,1-2,6-9,11-12H2
InChIKeyUAKKBNCDDJLZOH-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
CID 99841411
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
1-[(5S,7S,8R)-8-(3-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 110154758
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
CID 119037778
3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
CID 75519811
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
N-[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 86797000
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone (CID 75518815) is 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone is O=C(Cc1cccc(O)c1)N1CCOCC12CCCC2.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The InChIKey is UAKKBNCDDJLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-5-3-4-13(10-14)11-15(19)17-8-9-20-12-16(17)6-1-2-7-16/h3-5,10,18H,1-2,6-9,11-12H2.
What are the key properties of 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone is sourced from PubChem (CID 75518815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).