2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol

C17H19NO4 — CID 135595556

IUPAC2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
SMILESCOc1ccc(C/N=C/c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C17H19NO4/c1-20-14-8-7-12(9-16(14)22-3)10-18-11-13-5-4-6-15(21-2)17(13)19/h4-9,11,19H,10H2,1-3H3/b18-11+
InChIKeyHETIOPVZHBODMD-WOJGMQOQSA-N
MW301.34 g/mol
LogP3.04
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol

2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol (PubChem CID 135595556) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
PubChem CID135595556
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
SMILESCOc1ccc(C/N=C/c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C17H19NO4/c1-20-14-8-7-12(9-16(14)22-3)10-18-11-13-5-4-6-15(21-2)17(13)19/h4-9,11,19H,10H2,1-3H3/b18-11+
InChIKeyHETIOPVZHBODMD-WOJGMQOQSA-N
XLogP3.04
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135657498
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
CID 135855331
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol (CID 135595556) is 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol is COc1ccc(C/N=C/c2cccc(OC)c2O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
The InChIKey is HETIOPVZHBODMD-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-14-8-7-12(9-16(14)22-3)10-18-11-13-5-4-6-15(21-2)17(13)19/h4-9,11,19H,10H2,1-3H3/b18-11+.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol?
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol has a molecular weight of 301.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135595556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).