4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol

C16H16N2O4 — CID 135414383

IUPAC4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3/b17-9+,18-10+
InChIKeyGGQDJSIYHIRXDW-BEQMOXJMSA-N
MW300.31 g/mol
LogP2.57
Rot. Bonds5

About 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135414383) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135414383
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3/b17-9+,18-10+
InChIKeyGGQDJSIYHIRXDW-BEQMOXJMSA-N
XLogP2.57
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.57
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 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol (CID 135414383) is 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/N=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is GGQDJSIYHIRXDW-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3/b17-9+,18-10+.
What are the key properties of 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 300.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135414383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).