4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol

C15H14N2O4 — CID 136864512

IUPAC4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1cc(Cc2ccc(O)c(/C=N\O)c2)ccc1O
InChIInChI=1S/C15H14N2O4/c18-14-3-1-10(6-12(14)8-16-20)5-11-2-4-15(19)13(7-11)9-17-21/h1-4,6-9,18-21H,5H2/b16-8-,17-9-
InChIKeyLHTGKOLBDGOMKL-JCDHFMOQSA-N
MW286.29 g/mol
LogP2.30
Rot. Bonds4

About 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol

4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 136864512) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
PubChem CID136864512
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1cc(Cc2ccc(O)c(/C=N\O)c2)ccc1O
InChIInChI=1S/C15H14N2O4/c18-14-3-1-10(6-12(14)8-16-20)5-11-2-4-15(19)13(7-11)9-17-21/h1-4,6-9,18-21H,5H2/b16-8-,17-9-
InChIKeyLHTGKOLBDGOMKL-JCDHFMOQSA-N
XLogP2.30
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol (CID 136864512) is 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol is O/N=C\c1cc(Cc2ccc(O)c(/C=N\O)c2)ccc1O.
What is the InChIKey of 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is LHTGKOLBDGOMKL-JCDHFMOQSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14-3-1-10(6-12(14)8-16-20)5-11-2-4-15(19)13(7-11)9-17-21/h1-4,6-9,18-21H,5H2/b16-8-,17-9-.
What are the key properties of 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol?
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol has a molecular weight of 286.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 136864512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).