4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol

C16H16N2O4 — CID 135509488

IUPAC4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\N=C(/C)c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C16H16N2O4/c1-9(13-5-3-11(19)7-15(13)21)17-18-10(2)14-6-4-12(20)8-16(14)22/h3-8,19-22H,1-2H3/b17-9+,18-10+
InChIKeyFKKDSIYPIRBAAP-BEQMOXJMSA-N
MW300.31 g/mol
LogP2.74
Rot. Bonds3

About 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol

4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 135509488) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID135509488
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\N=C(/C)c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C16H16N2O4/c1-9(13-5-3-11(19)7-15(13)21)17-18-10(2)14-6-4-12(20)8-16(14)22/h3-8,19-22H,1-2H3/b17-9+,18-10+
InChIKeyFKKDSIYPIRBAAP-BEQMOXJMSA-N
XLogP2.74
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
4-(3-(4-Hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)propyl)-1,3-benzenediol
CID 442289
2-{(1Z)-1-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]ethyl}phenol
CID 135635666
4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
1-(2,4-Dihydroxy-3-Prenylphenyl)-3-(4-Hydroxyphenyl)Propane
CID 10913975
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493
2-[(1E)-1-{(2Z)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}ethyl]phenol
CID 135650519
4-[(E)-N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135676253
1-(4-Hydroxyphenyl)-1-propanone [1-(4-hydroxyphenyl)propylidene]hydrazone
CID 135458693
4-[N-[1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 230661
2-[9-(4-Hydroxyphenyl)nonyl]benzene-1,3-diol
CID 44576027
2-(3-(4-Hydroxyphenyl)propyl)benzene-1,3,5-triol
CID 14592782

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol (CID 135509488) is 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol is C/C(=N\N=C(/C)c1ccc(O)cc1O)c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is FKKDSIYPIRBAAP-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9(13-5-3-11(19)7-15(13)21)17-18-10(2)14-6-4-12(20)8-16(14)22/h3-8,19-22H,1-2H3/b17-9+,18-10+.
What are the key properties of 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol?
4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 300.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135509488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).