2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde

C20H21NO6 — CID 146567661

IUPAC2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCC1COCCN1C(=O)c1ccccc1CO
InChIInChI=1S/C20H21NO6/c22-10-14-4-1-2-5-16(14)20(25)21-8-9-26-12-15(21)13-27-19-7-3-6-18(24)17(19)11-23/h1-7,11,15,22,24H,8-10,12-13H2
InChIKeyZZPMZQVTJQDTPL-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.62
Rot. Bonds6

About 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde

2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde (PubChem CID 146567661) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
PubChem CID146567661
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCC1COCCN1C(=O)c1ccccc1CO
InChIInChI=1S/C20H21NO6/c22-10-14-4-1-2-5-16(14)20(25)21-8-9-26-12-15(21)13-27-19-7-3-6-18(24)17(19)11-23/h1-7,11,15,22,24H,8-10,12-13H2
InChIKeyZZPMZQVTJQDTPL-UHFFFAOYSA-N
XLogP1.62
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
2-[[(3S)-4-(2-formylbenzoyl)morpholin-3-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525169
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464658
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
2-[(3S)-3-[(2-ethenyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]benzaldehyde
CID 160600088
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525211

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde (CID 146567661) is 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde is O=Cc1c(O)cccc1OCC1COCCN1C(=O)c1ccccc1CO.
What is the InChIKey of 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The InChIKey is ZZPMZQVTJQDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c22-10-14-4-1-2-5-16(14)20(25)21-8-9-26-12-15(21)13-27-19-7-3-6-18(24)17(19)11-23/h1-7,11,15,22,24H,8-10,12-13H2.
What are the key properties of 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde has a molecular weight of 371.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde is sourced from PubChem (CID 146567661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).