2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde

C15H19NO5 — CID 146464591

IUPAC2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
SMILESCCOc1cccc(C(=O)N2CCOC[C@H]2CO)c1C=O
InChIInChI=1S/C15H19NO5/c1-2-21-14-5-3-4-12(13(14)9-18)15(19)16-6-7-20-10-11(16)8-17/h3-5,9,11,17H,2,6-8,10H2,1H3/t11-/m1/s1
InChIKeyNKKNLHYQFQDLMV-LLVKDONJSA-N
MW293.32 g/mol
LogP0.73
Rot. Bonds5

About 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde

2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde (PubChem CID 146464591) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde.

Molecular Properties

Compound Name2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
PubChem CID146464591
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
SMILESCCOc1cccc(C(=O)N2CCOC[C@H]2CO)c1C=O
InChIInChI=1S/C15H19NO5/c1-2-21-14-5-3-4-12(13(14)9-18)15(19)16-6-7-20-10-11(16)8-17/h3-5,9,11,17H,2,6-8,10H2,1H3/t11-/m1/s1
InChIKeyNKKNLHYQFQDLMV-LLVKDONJSA-N
XLogP0.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
2-[[(3S)-4-(2-formylbenzoyl)morpholin-3-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525169
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464658
2-[(3S)-3-[(2-ethenyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]benzaldehyde
CID 160600088
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
CID 156874450
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde?
The IUPAC name of 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde (CID 146464591) is 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde.
What is the SMILES notation for 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde?
The canonical SMILES for 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde is CCOc1cccc(C(=O)N2CCOC[C@H]2CO)c1C=O.
What is the InChIKey of 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde?
The InChIKey is NKKNLHYQFQDLMV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-21-14-5-3-4-12(13(14)9-18)15(19)16-6-7-20-10-11(16)8-17/h3-5,9,11,17H,2,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde?
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde has a molecular weight of 293.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde is sourced from PubChem (CID 146464591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).