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

C20H16N2O3 — CID 2351150

IUPAC4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN=C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H
InChIKeyYBAIWUIPYQTZEG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.67
Rot. Bonds4

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

4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 2351150) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID2351150
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN=C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H
InChIKeyYBAIWUIPYQTZEG-UHFFFAOYSA-N
XLogP3.67
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol (CID 2351150) is 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(C=NN=C(c2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is YBAIWUIPYQTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H.
What are the key properties of 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 332.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 2351150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).