2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde

C21H25NO5 — CID 39234415

IUPAC2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
SMILESCOc1cc(-c2ccc(CN3CCOCC3)cc2)c(C=O)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-19-12-17(18(14-23)20(25-2)21(19)26-3)16-6-4-15(5-7-16)13-22-8-10-27-11-9-22/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyQIEUMFDHNDCYGY-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.02
Rot. Bonds7

About 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde

2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde (PubChem CID 39234415) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
PubChem CID39234415
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
SMILESCOc1cc(-c2ccc(CN3CCOCC3)cc2)c(C=O)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-19-12-17(18(14-23)20(25-2)21(19)26-3)16-6-4-15(5-7-16)13-22-8-10-27-11-9-22/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyQIEUMFDHNDCYGY-UHFFFAOYSA-N
XLogP3.02
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline
CID 39233712
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
6-(1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzaldehyde
CID 39234088
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
6-bromo-3-hydroxy-2-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 53474473

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The IUPAC name of 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde (CID 39234415) is 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The canonical SMILES for 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde is COc1cc(-c2ccc(CN3CCOCC3)cc2)c(C=O)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
The InChIKey is QIEUMFDHNDCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-19-12-17(18(14-23)20(25-2)21(19)26-3)16-6-4-15(5-7-16)13-22-8-10-27-11-9-22/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde?
2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde has a molecular weight of 371.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-6-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde is sourced from PubChem (CID 39234415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).