4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol

C11H16N2O3 — CID 2454893

IUPAC4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESCC(C)(C)NN=Cc1ccc(O)c(O)c1O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)13-12-6-7-4-5-8(14)10(16)9(7)15/h4-6,13-16H,1-3H3
InChIKeyCYRGVEROMQXFIF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.53
Rot. Bonds2

About 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol

4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 2454893) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID2454893
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESCC(C)(C)NN=Cc1ccc(O)c(O)c1O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)13-12-6-7-4-5-8(14)10(16)9(7)15/h4-6,13-16H,1-3H3
InChIKeyCYRGVEROMQXFIF-UHFFFAOYSA-N
XLogP1.53
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
CID 135676034
1-(2-methoxyethyl)-3-[(2,3,4-trihydroxyphenyl)methylideneamino]thiourea
CID 4056507
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
(2S)-2-amino-3-hydroxy-N-[(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 870531
2-amino-3-hydroxy-N-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 136987961
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
4-[(E)-prop-1-enyl]benzene-1,2,3-triol
CID 19910343
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 2454893) is 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol is CC(C)(C)NN=Cc1ccc(O)c(O)c1O.
What is the InChIKey of 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is CYRGVEROMQXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)13-12-6-7-4-5-8(14)10(16)9(7)15/h4-6,13-16H,1-3H3.
What are the key properties of 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 224.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 2454893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).