2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol

C18H20N2O4 — CID 139073697

IUPAC2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\OCCO/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C18H20N2O4/c1-13(15-7-3-5-9-17(15)21)19-23-11-12-24-20-14(2)16-8-4-6-10-18(16)22/h3-10,21-22H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyPBZVXYCSTYPZDB-IWGRKNQJSA-N
MW328.37 g/mol
LogP3.28
Rot. Bonds7

About 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol

2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol (PubChem CID 139073697) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
PubChem CID139073697
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\OCCO/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C18H20N2O4/c1-13(15-7-3-5-9-17(15)21)19-23-11-12-24-20-14(2)16-8-4-6-10-18(16)22/h3-10,21-22H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyPBZVXYCSTYPZDB-IWGRKNQJSA-N
XLogP3.28
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2,4-dichloro-6-[(E)-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxypropoxyiminomethyl]phenol
CID 177397965
ethane;1-(2-hydroxyphenyl)ethanone;2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenol
CID 172964742
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[(E)-N-[3-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]oxypropoxy]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 139076819
copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
CID 139076745
(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
CID 135520583
2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
CID 2731245
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
CID 136835617
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
CID 174947834

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol (CID 139073697) is 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol is C/C(=N\OCCO/N=C(\C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol?
The InChIKey is PBZVXYCSTYPZDB-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(15-7-3-5-9-17(15)21)19-23-11-12-24-20-14(2)16-8-4-6-10-18(16)22/h3-10,21-22H,11-12H2,1-2H3/b19-13+,20-14+.
What are the key properties of 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol?
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol has a molecular weight of 328.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 139073697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).