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

C17H18N2O3 — CID 136863996

IUPAC4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\CC/N=C/c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C17H18N2O3/c1-12(15-7-6-14(20)10-17(15)22)19-9-8-18-11-13-4-2-3-5-16(13)21/h2-7,10-11,20-22H,8-9H2,1H3/b18-11+,19-12+
InChIKeyZFGRIFXSFXWTQF-GDAWTGGTSA-N
MW298.34 g/mol
LogP2.73
Rot. Bonds5

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

4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 136863996) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID136863996
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\CC/N=C/c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C17H18N2O3/c1-12(15-7-6-14(20)10-17(15)22)19-9-8-18-11-13-4-2-3-5-16(13)21/h2-7,10-11,20-22H,8-9H2,1H3/b18-11+,19-12+
InChIKeyZFGRIFXSFXWTQF-GDAWTGGTSA-N
XLogP2.73
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
(4E)-4-[(2-benzhydrylidenehydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135521596
2-{(1Z)-1-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]ethyl}phenol
CID 135635666
4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
N,N'-bis(2-hydroxybenzylidene)pentane-1,5-diamine
CID 2318645
1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135400493
2-[(1E)-1-{(2Z)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}ethyl]phenol
CID 135650519

Frequently Asked Questions

What is the IUPAC name of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol (CID 136863996) is 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol is C/C(=N\CC/N=C/c1ccccc1O)c1ccc(O)cc1O.
What is the InChIKey of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is ZFGRIFXSFXWTQF-GDAWTGGTSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(15-7-6-14(20)10-17(15)22)19-9-8-18-11-13-4-2-3-5-16(13)21/h2-7,10-11,20-22H,8-9H2,1H3/b18-11+,19-12+.
What are the key properties of 4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol?
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 298.34 g/mol, XLogP of 2.73, 5 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]ethyl]-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 136863996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).