3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde

C14H19NO4 — CID 874621

IUPAC3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C14H19NO4/c1-17-14-10-12(11-16)2-3-13(14)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3
InChIKeyJKXHPYSLLHSPDF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds6

About 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde

3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde (PubChem CID 874621) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
PubChem CID874621
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C14H19NO4/c1-17-14-10-12(11-16)2-3-13(14)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3
InChIKeyJKXHPYSLLHSPDF-UHFFFAOYSA-N
XLogP1.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
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

Vanillin acetate
CID 61229
4-Ethoxy-3-methoxybenzaldehyde
CID 67116
Ethyl vanillin isobutyrate
CID 673160
Benzaldehyde, 4-(acetyloxy)-3-ethoxy-
CID 155708
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
3,4-Diethoxybenzaldehyde
CID 74847
2-Morpholino-1-methylethyl-3,4,5-trimethoxybenzoate
CID 43265
Propiophenone, 4'-(2-hydroxy-3-morpholinopropoxy)-
CID 98456
N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2430743
4'-Formylbenzo-15-crown-5
CID 324243
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-benzaldehyde
CID 894260
4-(Hexyloxy)-m-anisaldehyde
CID 1563362

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde (CID 874621) is 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde is COc1cc(C=O)ccc1OCCN1CCOCC1.
What is the InChIKey of 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The InChIKey is JKXHPYSLLHSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-14-10-12(11-16)2-3-13(14)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde has a molecular weight of 265.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde is sourced from PubChem (CID 874621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).