4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol

C21H18N2O3 — CID 136734563

IUPAC4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\c1ccccc1/N=C/c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C21H18N2O3/c1-14(17-11-10-16(24)12-21(17)26)23-19-8-4-3-7-18(19)22-13-15-6-2-5-9-20(15)25/h2-13,24-26H,1H3/b22-13+,23-14+
InChIKeyGAIJQWHJLIQCMF-MSKUYSOUSA-N
MW346.39 g/mol
LogP4.69
Rot. Bonds4

About 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol

4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 136734563) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID136734563
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\c1ccccc1/N=C/c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C21H18N2O3/c1-14(17-11-10-16(24)12-21(17)26)23-19-8-4-3-7-18(19)22-13-15-6-2-5-9-20(15)25/h2-13,24-26H,1H3/b22-13+,23-14+
InChIKeyGAIJQWHJLIQCMF-MSKUYSOUSA-N
XLogP4.69
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol;propan-2-ol
CID 135578361
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
CID 137120822
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
CID 139078092
4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 137202429
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
CID 136784137

Frequently Asked Questions

What is the IUPAC name of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol (CID 136734563) is 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol is C/C(=N\c1ccccc1/N=C/c1ccccc1O)c1ccc(O)cc1O.
What is the InChIKey of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is GAIJQWHJLIQCMF-MSKUYSOUSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14(17-11-10-16(24)12-21(17)26)23-19-8-4-3-7-18(19)22-13-15-6-2-5-9-20(15)25/h2-13,24-26H,1H3/b22-13+,23-14+.
What are the key properties of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 346.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 136734563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).