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

C22H25NO6 — CID 146567611

IUPAC2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
SMILESCOCCc1ccccc1C(=O)N1CCOC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C22H25NO6/c1-27-11-9-16-5-2-3-6-18(16)22(26)23-10-12-28-14-17(23)15-29-21-8-4-7-20(25)19(21)13-24/h2-8,13,17,25H,9-12,14-15H2,1H3/t17-/m0/s1
InChIKeyIEXDXGDPWPDCTK-KRWDZBQOSA-N
MW399.44 g/mol
LogP2.31
Rot. Bonds8

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

2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde (PubChem CID 146567611) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
PubChem CID146567611
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
SMILESCOCCc1ccccc1C(=O)N1CCOC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C22H25NO6/c1-27-11-9-16-5-2-3-6-18(16)22(26)23-10-12-28-14-17(23)15-29-21-8-4-7-20(25)19(21)13-24/h2-8,13,17,25H,9-12,14-15H2,1H3/t17-/m0/s1
InChIKeyIEXDXGDPWPDCTK-KRWDZBQOSA-N
XLogP2.31
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.31
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-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde (CID 146567611) is 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde is COCCc1ccccc1C(=O)N1CCOC[C@H]1COc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
The InChIKey is IEXDXGDPWPDCTK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25NO6/c1-27-11-9-16-5-2-3-6-18(16)22(26)23-10-12-28-14-17(23)15-29-21-8-4-7-20(25)19(21)13-24/h2-8,13,17,25H,9-12,14-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde has a molecular weight of 399.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde is sourced from PubChem (CID 146567611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).