2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol

C20H24N2O4 — CID 609617

IUPAC2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-25-17-9-5-7-15(19(17)23)13-21-11-3-4-12-22-14-16-8-6-10-18(26-2)20(16)24/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyPSJZCPKYFYKXHM-JFMUQQRKSA-N
MW356.42 g/mol
LogP3.43
Rot. Bonds9

About 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol

2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol (PubChem CID 609617) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
PubChem CID609617
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-25-17-9-5-7-15(19(17)23)13-21-11-3-4-12-22-14-16-8-6-10-18(26-2)20(16)24/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyPSJZCPKYFYKXHM-JFMUQQRKSA-N
XLogP3.43
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol (CID 609617) is 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCCC/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol?
The InChIKey is PSJZCPKYFYKXHM-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-17-9-5-7-15(19(17)23)13-21-11-3-4-12-22-14-16-8-6-10-18(26-2)20(16)24/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+.
What are the key properties of 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol?
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol has a molecular weight of 356.42 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 609617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).