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

C20H19NO7 — CID 146464572

IUPAC2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1COCCN1C(=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
InChIKeyIVQDJANVORQMIJ-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.64
Rot. Bonds6

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

2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (PubChem CID 146464572) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
PubChem CID146464572
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1COCCN1C(=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
InChIKeyIVQDJANVORQMIJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde (CID 146464572) is 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCC1COCCN1C(=O)c1cccc(O)c1C=O.
What is the InChIKey of 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
The InChIKey is IVQDJANVORQMIJ-UHFFFAOYSA-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.
What are the key properties of 2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde?
2-[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-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146464572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).