4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol

C16H16N2O4 — CID 136651369

IUPAC4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol
SMILESCc1cc(C=NN=Cc2ccc(O)c(O)c2)c(C)c(O)c1O
InChIInChI=1S/C16H16N2O4/c1-9-5-12(10(2)16(22)15(9)21)8-18-17-7-11-3-4-13(19)14(20)6-11/h3-8,19-22H,1-2H3
InChIKeyVXGLXUGFHQQFBF-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.58
Rot. Bonds3

About 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol

4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol (PubChem CID 136651369) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol
PubChem CID136651369
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol
SMILESCc1cc(C=NN=Cc2ccc(O)c(O)c2)c(C)c(O)c1O
InChIInChI=1S/C16H16N2O4/c1-9-5-12(10(2)16(22)15(9)21)8-18-17-7-11-3-4-13(19)14(20)6-11/h3-8,19-22H,1-2H3
InChIKeyVXGLXUGFHQQFBF-UHFFFAOYSA-N
XLogP2.58
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.58
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

2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone
CID 137037352
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol?
The IUPAC name of 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol (CID 136651369) is 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol.
What is the SMILES notation for 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol?
The canonical SMILES for 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol is Cc1cc(C=NN=Cc2ccc(O)c(O)c2)c(C)c(O)c1O.
What is the InChIKey of 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol?
The InChIKey is VXGLXUGFHQQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-5-12(10(2)16(22)15(9)21)8-18-17-7-11-3-4-13(19)14(20)6-11/h3-8,19-22H,1-2H3.
What are the key properties of 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol?
4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol has a molecular weight of 300.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol is sourced from PubChem (CID 136651369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).