4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol

C19H16N2O2 — CID 788003

IUPAC4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c1
InChIInChI=1S/C19H16N2O2/c22-18-11-6-14(19(23)12-18)13-20-15-7-9-17(10-8-15)21-16-4-2-1-3-5-16/h1-13,21-23H/b20-13+
InChIKeyZNOHUXQXCKUCRP-DEDYPNTBSA-N
MW304.35 g/mol
LogP4.59
Rot. Bonds4

About 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol

4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol (PubChem CID 788003) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
PubChem CID788003
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c1
InChIInChI=1S/C19H16N2O2/c22-18-11-6-14(19(23)12-18)13-20-15-7-9-17(10-8-15)21-16-4-2-1-3-5-16/h1-13,21-23H/b20-13+
InChIKeyZNOHUXQXCKUCRP-DEDYPNTBSA-N
XLogP4.59
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol 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

4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
CID 623233
CID 136504823
CID 136504823
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
N-phenyl-3-(phenyliminomethyl)quinolin-2-amine
CID 146000832
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-anilinophenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol (CID 788003) is 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c1.
What is the InChIKey of 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is ZNOHUXQXCKUCRP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-11-6-14(19(23)12-18)13-20-15-7-9-17(10-8-15)21-16-4-2-1-3-5-16/h1-13,21-23H/b20-13+.
What are the key properties of 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol?
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 304.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).