3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde

C16H23NO4 — CID 79175397

IUPAC3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCC1CN(CC)CCO1
InChIInChI=1S/C16H23NO4/c1-3-17-8-9-20-14(10-17)12-21-16-13(11-18)6-5-7-15(16)19-4-2/h5-7,11,14H,3-4,8-10,12H2,1-2H3
InChIKeyFOVIXJDGDAIUHG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds7

About 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde

3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde (PubChem CID 79175397) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
PubChem CID79175397
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCC1CN(CC)CCO1
InChIInChI=1S/C16H23NO4/c1-3-17-8-9-20-14(10-17)12-21-16-13(11-18)6-5-7-15(16)19-4-2/h5-7,11,14H,3-4,8-10,12H2,1-2H3
InChIKeyFOVIXJDGDAIUHG-UHFFFAOYSA-N
XLogP2.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
CID 104665518
3-ethoxy-2-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 65161228
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzaldehyde
CID 116521952
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
CID 107873410
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde (CID 79175397) is 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde is CCOc1cccc(C=O)c1OCC1CN(CC)CCO1.
What is the InChIKey of 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde?
The InChIKey is FOVIXJDGDAIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-17-8-9-20-14(10-17)12-21-16-13(11-18)6-5-7-15(16)19-4-2/h5-7,11,14H,3-4,8-10,12H2,1-2H3.
What are the key properties of 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde?
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde has a molecular weight of 293.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 79175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).