4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol

C14H12N2O4 — CID 135421639

IUPAC4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N=C/c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H/b15-7+,16-8+
InChIKeyKCTGBISRNNXGFG-BGPOSVGRSA-N
MW272.26 g/mol
LogP1.96
Rot. Bonds3

About 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol

4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135421639) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135421639
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N=C/c2ccc(O)c(O)c2)cc1O
InChIInChI=1S/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H/b15-7+,16-8+
InChIKeyKCTGBISRNNXGFG-BGPOSVGRSA-N
XLogP1.96
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

Salicylaldazine
CID 135400567
Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
3,4-dihydroxybenzaldehyde-O-ethyloxime
CID 136180746
(6E)-2-hydroxy-6-[[2-[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135452530
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
3-Hydroxybenzaldehyde azine
CID 6895745
3,4-Dihydroxybenzaldoxime
CID 135482064
N'',N'''-Bis[(E)-1-(3,4-dihydroxyphenyl)methylidene]carbonic dihydrazide
CID 135420153
(4Z)-4-[[(2,6-dimethylpiperidino)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
CID 135679010
1,2-Benzenediol,4-[(1-piperidinylimino)methyl]-
CID 135691225
3-[(Benzylimino)methyl]-1,2-benzenediol
CID 693332

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol (CID 135421639) is 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/N=C/c2ccc(O)c(O)c2)cc1O.
What is the InChIKey of 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is KCTGBISRNNXGFG-BGPOSVGRSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H/b15-7+,16-8+.
What are the key properties of 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 272.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135421639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).