2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

C18H20N2O4 — CID 135418706

IUPAC2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C18H20N2O4/c1-3-23-17-9-13(5-7-15(17)21)11-19-20-12-14-6-8-16(22)18(10-14)24-4-2/h5-12,21-22H,3-4H2,1-2H3/b19-11+,20-12+
InChIKeyPELLUKWQMGVZFR-AYKLPDECSA-N
MW328.37 g/mol
LogP3.35
Rot. Bonds7

About 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135418706) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135418706
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C18H20N2O4/c1-3-23-17-9-13(5-7-15(17)21)11-19-20-12-14-6-8-16(22)18(10-14)24-4-2/h5-12,21-22H,3-4H2,1-2H3/b19-11+,20-12+
InChIKeyPELLUKWQMGVZFR-AYKLPDECSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135418706) is 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is CCOc1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is PELLUKWQMGVZFR-AYKLPDECSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-23-17-9-13(5-7-15(17)21)11-19-20-12-14-6-8-16(22)18(10-14)24-4-2/h5-12,21-22H,3-4H2,1-2H3/b19-11+,20-12+.
What are the key properties of 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 328.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135418706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).