[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate

C25H25NO6 — CID 2742134

IUPAC[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(/C=N/Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-28-21-12-18(16-26-15-17-8-6-5-7-9-17)10-11-20(21)32-25(27)19-13-22(29-2)24(31-4)23(14-19)30-3/h5-14,16H,15H2,1-4H3/b26-16+
InChIKeyLSBSCLPSOBJSRV-WGOQTCKBSA-N
MW435.48 g/mol
LogP4.56
Rot. Bonds9

About [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate

[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate (PubChem CID 2742134) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
PubChem CID2742134
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(/C=N/Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-28-21-12-18(16-26-15-17-8-6-5-7-9-17)10-11-20(21)32-25(27)19-13-22(29-2)24(31-4)23(14-19)30-3/h5-14,16H,15H2,1-4H3/b26-16+
InChIKeyLSBSCLPSOBJSRV-WGOQTCKBSA-N
XLogP4.56
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate 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

[2-methoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6124891
[4-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 124544586
[2-methoxy-4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3649631
N-benzyl-1-[3,5-bis(ethenoxy)-4-methoxyphenyl]methanimine
CID 11461025
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
[2-ethoxy-4-[(Z)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6129052
[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126137147
[2-methoxy-4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4112044
[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126414999
[4-[[(4,7-dimethoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126401900
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
[2-benzoyloxy-4-[(E)-[[2-(2,4-dibromo-6-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 171980794

Frequently Asked Questions

What is the IUPAC name of [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate (CID 2742134) is [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate is COc1cc(/C=N/Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate?
The InChIKey is LSBSCLPSOBJSRV-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H25NO6/c1-28-21-12-18(16-26-15-17-8-6-5-7-9-17)10-11-20(21)32-25(27)19-13-22(29-2)24(31-4)23(14-19)30-3/h5-14,16H,15H2,1-4H3/b26-16+.
What are the key properties of [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate?
[4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate has a molecular weight of 435.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzyliminomethyl)-2-methoxyphenyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 2742134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).