4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol

C19H15N3O3 — CID 136719331

IUPAC4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(O)c1O
InChIInChI=1S/C19H15N3O3/c23-17-11-6-13(18(24)19(17)25)12-20-14-7-9-16(10-8-14)22-21-15-4-2-1-3-5-15/h1-12,23-25H/b20-12+,22-21+
InChIKeyORNIASCQQSFKDS-DERSFYRZSA-N
MW333.35 g/mol
LogP4.97
Rot. Bonds4

About 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol

4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol (PubChem CID 136719331) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
PubChem CID136719331
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(O)c1O
InChIInChI=1S/C19H15N3O3/c23-17-11-6-13(18(24)19(17)25)12-20-14-7-9-16(10-8-14)22-21-15-4-2-1-3-5-15/h1-12,23-25H/b20-12+,22-21+
InChIKeyORNIASCQQSFKDS-DERSFYRZSA-N
XLogP4.97
TPSA97.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
CID 172914397
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
2-[(4-phenyldiazenylphenyl)iminomethyl]pyridin-3-ol
CID 136776452
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
CID 136504823
CID 136504823
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol (CID 136719331) is 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol is Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(O)c1O.
What is the InChIKey of 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol?
The InChIKey is ORNIASCQQSFKDS-DERSFYRZSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-11-6-13(18(24)19(17)25)12-20-14-7-9-16(10-8-14)22-21-15-4-2-1-3-5-15/h1-12,23-25H/b20-12+,22-21+.
What are the key properties of 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol?
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol has a molecular weight of 333.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol is sourced from PubChem (CID 136719331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).