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

C19H16N2O3 — CID 135676161

IUPAC4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H16N2O3/c22-17-12-11-14(18(23)19(17)24)13-20-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H/b20-13+
InChIKeyCIYWXCIJGGZEPL-DEDYPNTBSA-N
MW320.35 g/mol
LogP3.98
Rot. Bonds4

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

4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 135676161) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID135676161
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H16N2O3/c22-17-12-11-14(18(23)19(17)24)13-20-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H/b20-13+
InChIKeyCIYWXCIJGGZEPL-DEDYPNTBSA-N
XLogP3.98
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.98
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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Related Compounds

5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,2-diol
CID 135544867
5-[(E)-(diphenylhydrazinylidene)methyl]-2-methoxyphenol
CID 9781300
N''-[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-3-(4-phenylpiperazino)propionohydrazide
CID 135460457
(4E)-4-[(2-benzyl-2-phenylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135520040
4-[[(4-Phenyl-1-piperazinyl)imino]methyl]-1,3-benzenediol
CID 135635815
4-[(2-Benzyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135520003
3-[(E)-[benzyl(phenyl)hydrazono]methyl]phenol
CID 9630253
4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol
CID 135734041
4-[(4-Hydroxyphenyl)iminomethyl]benzene-1,2,3-triol
CID 135839389

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 135676161) is 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is CIYWXCIJGGZEPL-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17-12-11-14(18(23)19(17)24)13-20-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22-24H/b20-13+.
What are the key properties of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 320.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135676161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).