2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde

C21H23NO4 — CID 89218582

IUPAC2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(C(=O)CCCN3CCOCC3)c2)ccc1O
InChIInChI=1S/C21H23NO4/c23-15-19-14-17(6-7-21(19)25)16-3-1-4-18(13-16)20(24)5-2-8-22-9-11-26-12-10-22/h1,3-4,6-7,13-15,25H,2,5,8-12H2
InChIKeyXYGFPXURBRRLNF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.17
Rot. Bonds7

About 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde

2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde (PubChem CID 89218582) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde
PubChem CID89218582
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(C(=O)CCCN3CCOCC3)c2)ccc1O
InChIInChI=1S/C21H23NO4/c23-15-19-14-17(6-7-21(19)25)16-3-1-4-18(13-16)20(24)5-2-8-22-9-11-26-12-10-22/h1,3-4,6-7,13-15,25H,2,5,8-12H2
InChIKeyXYGFPXURBRRLNF-UHFFFAOYSA-N
XLogP3.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde (CID 89218582) is 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde is O=Cc1cc(-c2cccc(C(=O)CCCN3CCOCC3)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde?
The InChIKey is XYGFPXURBRRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-15-19-14-17(6-7-21(19)25)16-3-1-4-18(13-16)20(24)5-2-8-22-9-11-26-12-10-22/h1,3-4,6-7,13-15,25H,2,5,8-12H2.
What are the key properties of 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde?
2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde has a molecular weight of 353.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde is sourced from PubChem (CID 89218582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).