4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol

C18H20N2O5 — CID 136928188

IUPAC4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCCOc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H20N2O5/c1-4-25-15-7-12(5-6-14(15)21)10-19-20-11-13-8-16(23-2)18(22)17(9-13)24-3/h5-11,21-22H,4H2,1-3H3/b19-10+,20-11+
InChIKeyDKVOPYPZPJKEMW-ROUMAOROSA-N
MW344.37 g/mol
LogP2.97
Rot. Bonds7

About 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 136928188) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID136928188
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCCOc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H20N2O5/c1-4-25-15-7-12(5-6-14(15)21)10-19-20-11-13-8-16(23-2)18(22)17(9-13)24-3/h5-11,21-22H,4H2,1-3H3/b19-10+,20-11+
InChIKeyDKVOPYPZPJKEMW-ROUMAOROSA-N
XLogP2.97
TPSA92.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
CID 135675850
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
CID 135722054
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-2-methoxyphenol
CID 154979830
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 135555015
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 136928188) is 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol is CCOc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is DKVOPYPZPJKEMW-ROUMAOROSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-25-15-7-12(5-6-14(15)21)10-19-20-11-13-8-16(23-2)18(22)17(9-13)24-3/h5-11,21-22H,4H2,1-3H3/b19-10+,20-11+.
What are the key properties of 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 344.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 136928188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).