3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde

C17H25NO4 — CID 71420401

IUPAC3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCN2CCOCC2)c1C
InChIInChI=1S/C17H25NO4/c1-3-9-21-16-5-4-15(13-19)17(14(16)2)22-12-8-18-6-10-20-11-7-18/h4-5,13H,3,6-12H2,1-2H3
InChIKeyMKUWCHDOKYKASQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.31
Rot. Bonds8

About 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde

3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde (PubChem CID 71420401) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
PubChem CID71420401
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCN2CCOCC2)c1C
InChIInChI=1S/C17H25NO4/c1-3-9-21-16-5-4-15(13-19)17(14(16)2)22-12-8-18-6-10-20-11-7-18/h4-5,13H,3,6-12H2,1-2H3
InChIKeyMKUWCHDOKYKASQ-UHFFFAOYSA-N
XLogP2.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.31
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

4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
CID 22680018
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
CID 174370895
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde (CID 71420401) is 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCCN2CCOCC2)c1C.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde?
The InChIKey is MKUWCHDOKYKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-9-21-16-5-4-15(13-19)17(14(16)2)22-12-8-18-6-10-20-11-7-18/h4-5,13H,3,6-12H2,1-2H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde?
3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde has a molecular weight of 307.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 71420401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).