2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol

C19H23NO4 — CID 3936120

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/CCc2ccc(OC)c(OC)c2)c1O
InChIInChI=1S/C19H23NO4/c1-4-24-17-7-5-6-15(19(17)21)13-20-11-10-14-8-9-16(22-2)18(12-14)23-3/h5-9,12-13,21H,4,10-11H2,1-3H3/b20-13+
InChIKeyCCUKNOCAQYSSGM-DEDYPNTBSA-N
MW329.40 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol

2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol (PubChem CID 3936120) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol
PubChem CID3936120
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/CCc2ccc(OC)c(OC)c2)c1O
InChIInChI=1S/C19H23NO4/c1-4-24-17-7-5-6-15(19(17)21)13-20-11-10-14-8-9-16(22-2)18(12-14)23-3/h5-9,12-13,21H,4,10-11H2,1-3H3/b20-13+
InChIKeyCCUKNOCAQYSSGM-DEDYPNTBSA-N
XLogP3.47
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol (CID 3936120) is 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/CCc2ccc(OC)c(OC)c2)c1O.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol?
The InChIKey is CCUKNOCAQYSSGM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-17-7-5-6-15(19(17)21)13-20-11-10-14-8-9-16(22-2)18(12-14)23-3/h5-9,12-13,21H,4,10-11H2,1-3H3/b20-13+.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol?
2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol has a molecular weight of 329.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 3936120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).