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

C20H19NO7 — CID 146464571

IUPAC2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O
InChIInChI=1S/C20H19NO7/c22-9-15-14(3-1-4-17(15)24)20(26)21-7-8-27-11-13(21)12-28-19-6-2-5-18(25)16(19)10-23/h1-6,9-10,13,24-25H,7-8,11-12H2/t13-/m0/s1
InChIKeyIVQDJANVORQMIJ-ZDUSSCGKSA-N
MW385.37 g/mol
LogP1.64
Rot. Bonds6

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

2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (PubChem CID 146464571) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
PubChem CID146464571
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O
InChIInChI=1S/C20H19NO7/c22-9-15-14(3-1-4-17(15)24)20(26)21-7-8-27-11-13(21)12-28-19-6-2-5-18(25)16(19)10-23/h1-6,9-10,13,24-25H,7-8,11-12H2/t13-/m0/s1
InChIKeyIVQDJANVORQMIJ-ZDUSSCGKSA-N
XLogP1.64
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464658
2-[[(3S)-4-(2-formylbenzoyl)morpholin-3-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525169
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
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
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
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-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde
CID 146616678

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (CID 146464571) is 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccc(O)c1C=O.
What is the InChIKey of 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The InChIKey is IVQDJANVORQMIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19NO7/c22-9-15-14(3-1-4-17(15)24)20(26)21-7-8-27-11-13(21)12-28-19-6-2-5-18(25)16(19)10-23/h1-6,9-10,13,24-25H,7-8,11-12H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde has a molecular weight of 385.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146464571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).