2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde

C20H19NO6 — CID 146464658

IUPAC2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1ccccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O
InChIInChI=1S/C20H19NO6/c22-10-14-4-1-2-7-19(14)27-13-15-12-26-9-8-21(15)20(25)16-5-3-6-18(24)17(16)11-23/h1-7,10-11,15,24H,8-9,12-13H2/t15-/m0/s1
InChIKeyATZJOXGIDOJIIH-HNNXBMFYSA-N
MW369.37 g/mol
LogP1.94
Rot. Bonds6

About 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde

2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (PubChem CID 146464658) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
PubChem CID146464658
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1ccccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O
InChIInChI=1S/C20H19NO6/c22-10-14-4-1-2-7-19(14)27-13-15-12-26-9-8-21(15)20(25)16-5-3-6-18(24)17(16)11-23/h1-7,10-11,15,24H,8-9,12-13H2/t15-/m0/s1
InChIKeyATZJOXGIDOJIIH-HNNXBMFYSA-N
XLogP1.94
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (CID 146464658) is 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is O=Cc1ccccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O.
What is the InChIKey of 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The InChIKey is ATZJOXGIDOJIIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19NO6/c22-10-14-4-1-2-7-19(14)27-13-15-12-26-9-8-21(15)20(25)16-5-3-6-18(24)17(16)11-23/h1-7,10-11,15,24H,8-9,12-13H2/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde has a molecular weight of 369.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146464658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).