2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde

C13H17NO3 — CID 54183396

IUPAC2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
SMILESO=CCOc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H17NO3/c15-6-9-17-13-3-1-2-12(10-13)11-14-4-7-16-8-5-14/h1-3,6,10H,4-5,7-9,11H2
InChIKeyDSEBQEGTCHOYLC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde

2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde (PubChem CID 54183396) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
PubChem CID54183396
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde
SMILESO=CCOc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H17NO3/c15-6-9-17-13-3-1-2-12(10-13)11-14-4-7-16-8-5-14/h1-3,6,10H,4-5,7-9,11H2
InChIKeyDSEBQEGTCHOYLC-UHFFFAOYSA-N
XLogP1.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 77093940
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(3aS,6aR)-2-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154921317
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 171909386
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
4-[2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethyl]morpholine
CID 77084965
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde (CID 54183396) is 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde is O=CCOc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde?
The InChIKey is DSEBQEGTCHOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-6-9-17-13-3-1-2-12(10-13)11-14-4-7-16-8-5-14/h1-3,6,10H,4-5,7-9,11H2.
What are the key properties of 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde?
2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde has a molecular weight of 235.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)phenoxy]acetaldehyde is sourced from PubChem (CID 54183396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).