3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde

C15H20BrNO4 — CID 22680018

IUPAC3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
SMILESCCOc1cc(C=O)cc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C15H20BrNO4/c1-2-20-14-10-12(11-18)9-13(16)15(14)21-8-5-17-3-6-19-7-4-17/h9-11H,2-8H2,1H3
InChIKeyASDWSTSNLYWAHL-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.37
Rot. Bonds7

About 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde

3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde (PubChem CID 22680018) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
PubChem CID22680018
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
SMILESCCOc1cc(C=O)cc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C15H20BrNO4/c1-2-20-14-10-12(11-18)9-13(16)15(14)21-8-5-17-3-6-19-7-4-17/h9-11H,2-8H2,1H3
InChIKeyASDWSTSNLYWAHL-UHFFFAOYSA-N
XLogP2.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.37
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

3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685925
3-amino-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 82057247
3-bromo-5-ethoxy-4-(6-hydroxyhexoxy)benzaldehyde
CID 107703888
3-bromo-5-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 65160798
4-(2-bromo-6-ethoxy-4-formylphenoxy)butanenitrile
CID 43627019
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
3-bromo-5-methoxy-4-(2-morpholin-4-ylethoxy)benzenecarbothioamide
CID 20985116
3-bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43627010
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
CID 170870300
3-bromo-5-ethoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700306
3-bromo-4-(cyclopropylmethoxymethoxy)-5-ethoxybenzaldehyde
CID 106929617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The IUPAC name of 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde (CID 22680018) is 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The canonical SMILES for 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde is CCOc1cc(C=O)cc(Br)c1OCCN1CCOCC1.
What is the InChIKey of 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
The InChIKey is ASDWSTSNLYWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-2-20-14-10-12(11-18)9-13(16)15(14)21-8-5-17-3-6-19-7-4-17/h9-11H,2-8H2,1H3.
What are the key properties of 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde?
3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde has a molecular weight of 358.23 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde is sourced from PubChem (CID 22680018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).