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

C18H20N2O4 — CID 5232078

IUPAC2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C18H20N2O4/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22/h3-8,11-12,21-22H,9-10H2,1-2H3/b19-11+,20-12+
InChIKeyPOOCDAFRRKDABS-AYKLPDECSA-N
MW328.37 g/mol
LogP2.65
Rot. Bonds7

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

2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol (PubChem CID 5232078) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol
PubChem CID5232078
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C18H20N2O4/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22/h3-8,11-12,21-22H,9-10H2,1-2H3/b19-11+,20-12+
InChIKeyPOOCDAFRRKDABS-AYKLPDECSA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol (CID 5232078) is 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol?
The InChIKey is POOCDAFRRKDABS-AYKLPDECSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22/h3-8,11-12,21-22H,9-10H2,1-2H3/b19-11+,20-12+.
What are the key properties of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol?
2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol has a molecular weight of 328.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 5232078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).