4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde

C12H15NO3 — CID 81204453

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCOC(CO)C2)cc1
InChIInChI=1S/C12H15NO3/c14-8-10-1-3-11(4-2-10)13-5-6-16-12(7-13)9-15/h1-4,8,12,15H,5-7,9H2
InChIKeyJEJKKURSJMIUTF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds3

About 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde

4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde (PubChem CID 81204453) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
PubChem CID81204453
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCOC(CO)C2)cc1
InChIInChI=1S/C12H15NO3/c14-8-10-1-3-11(4-2-10)13-5-6-16-12(7-13)9-15/h1-4,8,12,15H,5-7,9H2
InChIKeyJEJKKURSJMIUTF-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde (CID 81204453) is 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde is O=Cc1ccc(N2CCOC(CO)C2)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde?
The InChIKey is JEJKKURSJMIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-10-1-3-11(4-2-10)13-5-6-16-12(7-13)9-15/h1-4,8,12,15H,5-7,9H2.
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde?
4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde is sourced from PubChem (CID 81204453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).