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

C30H36N4O6 — CID 135509884

IUPAC2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCN(CC/N=C/c2cccc(OC)c2O)CC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C30H36N4O6/c1-38-25-10-4-7-22(28(25)35)19-31-13-16-34(17-14-32-20-23-8-5-11-26(39-2)29(23)36)18-15-33-21-24-9-6-12-27(40-3)30(24)37/h4-12,19-21,35-37H,13-18H2,1-3H3/b31-19+,32-20+,33-21+
InChIKeyPAHKGNZYXXAXHA-TYUQYLRYSA-N
MW548.64 g/mol
LogP3.79
Rot. Bonds15

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

2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol (PubChem CID 135509884) has the molecular formula C30H36N4O6 and a molecular weight of 548.64 g/mol. Its IUPAC name is 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
PubChem CID135509884
Molecular FormulaC30H36N4O6
Molecular Weight548.64 g/mol
Exact Mass548.26
IUPAC Name2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCN(CC/N=C/c2cccc(OC)c2O)CC/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C30H36N4O6/c1-38-25-10-4-7-22(28(25)35)19-31-13-16-34(17-14-32-20-23-8-5-11-26(39-2)29(23)36)18-15-33-21-24-9-6-12-27(40-3)30(24)37/h4-12,19-21,35-37H,13-18H2,1-3H3/b31-19+,32-20+,33-21+
InChIKeyPAHKGNZYXXAXHA-TYUQYLRYSA-N
XLogP3.79
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol with MolForge

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Related Compounds

2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
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-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[[2-hydroxy-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenol
CID 135438085
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
CID 135855331
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol (CID 135509884) is 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCN(CC/N=C/c2cccc(OC)c2O)CC/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol?
The InChIKey is PAHKGNZYXXAXHA-TYUQYLRYSA-N. The full InChI is InChI=1S/C30H36N4O6/c1-38-25-10-4-7-22(28(25)35)19-31-13-16-34(17-14-32-20-23-8-5-11-26(39-2)29(23)36)18-15-33-21-24-9-6-12-27(40-3)30(24)37/h4-12,19-21,35-37H,13-18H2,1-3H3/b31-19+,32-20+,33-21+.
What are the key properties of 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol?
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol has a molecular weight of 548.64 g/mol, XLogP of 3.79, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135509884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).