2-(2-hydroxymorpholin-4-yl)benzaldehyde

C11H13NO3 — CID 174458746

IUPAC2-(2-hydroxymorpholin-4-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCOC(O)C1
InChIInChI=1S/C11H13NO3/c13-8-9-3-1-2-4-10(9)12-5-6-15-11(14)7-12/h1-4,8,11,14H,5-7H2
InChIKeyILBDTGPTDSDCQD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.65
Rot. Bonds2

About 2-(2-hydroxymorpholin-4-yl)benzaldehyde

2-(2-hydroxymorpholin-4-yl)benzaldehyde (PubChem CID 174458746) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-hydroxymorpholin-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxymorpholin-4-yl)benzaldehyde
PubChem CID174458746
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-hydroxymorpholin-4-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCOC(O)C1
InChIInChI=1S/C11H13NO3/c13-8-9-3-1-2-4-10(9)12-5-6-15-11(14)7-12/h1-4,8,11,14H,5-7H2
InChIKeyILBDTGPTDSDCQD-UHFFFAOYSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.65
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 2-(2-hydroxymorpholin-4-yl)benzaldehyde?
The IUPAC name of 2-(2-hydroxymorpholin-4-yl)benzaldehyde (CID 174458746) is 2-(2-hydroxymorpholin-4-yl)benzaldehyde.
What is the SMILES notation for 2-(2-hydroxymorpholin-4-yl)benzaldehyde?
The canonical SMILES for 2-(2-hydroxymorpholin-4-yl)benzaldehyde is O=Cc1ccccc1N1CCOC(O)C1.
What is the InChIKey of 2-(2-hydroxymorpholin-4-yl)benzaldehyde?
The InChIKey is ILBDTGPTDSDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-9-3-1-2-4-10(9)12-5-6-15-11(14)7-12/h1-4,8,11,14H,5-7H2.
What are the key properties of 2-(2-hydroxymorpholin-4-yl)benzaldehyde?
2-(2-hydroxymorpholin-4-yl)benzaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxymorpholin-4-yl)benzaldehyde is sourced from PubChem (CID 174458746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).