2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde

C13H17NO3 — CID 175270830

IUPAC2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESO=CC1C(O)OCCN1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-10-12-13(16)17-9-8-14(12)7-6-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2
InChIKeyDASPQHAOTKYGAC-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.45
Rot. Bonds4

About 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde

2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde (PubChem CID 175270830) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
PubChem CID175270830
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESO=CC1C(O)OCCN1CCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-10-12-13(16)17-9-8-14(12)7-6-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2
InChIKeyDASPQHAOTKYGAC-UHFFFAOYSA-N
XLogP0.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.45
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-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The IUPAC name of 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde (CID 175270830) is 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The canonical SMILES for 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde is O=CC1C(O)OCCN1CCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The InChIKey is DASPQHAOTKYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-12-13(16)17-9-8-14(12)7-6-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2.
What are the key properties of 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde?
2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde has a molecular weight of 235.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 175270830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).