3-(3-morpholin-4-ylbutoxy)benzaldehyde

C15H21NO3 — CID 82037081

IUPAC3-(3-morpholin-4-ylbutoxy)benzaldehyde
SMILESCC(CCOc1cccc(C=O)c1)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-13(16-6-9-18-10-7-16)5-8-19-15-4-2-3-14(11-15)12-17/h2-4,11-13H,5-10H2,1H3
InChIKeyQUEXURFBQIMVEU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.99
Rot. Bonds6

About 3-(3-morpholin-4-ylbutoxy)benzaldehyde

3-(3-morpholin-4-ylbutoxy)benzaldehyde (PubChem CID 82037081) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylbutoxy)benzaldehyde.

Molecular Properties

Compound Name3-(3-morpholin-4-ylbutoxy)benzaldehyde
PubChem CID82037081
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(3-morpholin-4-ylbutoxy)benzaldehyde
SMILESCC(CCOc1cccc(C=O)c1)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-13(16-6-9-18-10-7-16)5-8-19-15-4-2-3-14(11-15)12-17/h2-4,11-13H,5-10H2,1H3
InChIKeyQUEXURFBQIMVEU-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.99
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

3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037792
3-(3,3-difluoropropoxy)benzaldehyde
CID 83854624
4-(2-morpholin-4-ylpropoxy)-3,5-di(propan-2-yl)benzaldehyde
CID 23439090
3-butoxybenzaldehyde;ethane
CID 91380350
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
4-[3-[(2-morpholin-4-ylpropylamino)methyl]phenoxy]butanenitrile
CID 119108890
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
CID 82037237
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylbutoxy)benzaldehyde?
The IUPAC name of 3-(3-morpholin-4-ylbutoxy)benzaldehyde (CID 82037081) is 3-(3-morpholin-4-ylbutoxy)benzaldehyde.
What is the SMILES notation for 3-(3-morpholin-4-ylbutoxy)benzaldehyde?
The canonical SMILES for 3-(3-morpholin-4-ylbutoxy)benzaldehyde is CC(CCOc1cccc(C=O)c1)N1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylbutoxy)benzaldehyde?
The InChIKey is QUEXURFBQIMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13(16-6-9-18-10-7-16)5-8-19-15-4-2-3-14(11-15)12-17/h2-4,11-13H,5-10H2,1H3.
What are the key properties of 3-(3-morpholin-4-ylbutoxy)benzaldehyde?
3-(3-morpholin-4-ylbutoxy)benzaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylbutoxy)benzaldehyde is sourced from PubChem (CID 82037081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).