4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol

C22H20N2O4 — CID 136835617

IUPAC4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
SMILESC/C(=N\c1cc(/N=C(\C)c2ccccc2O)c(O)cc1O)c1ccccc1O
InChIInChI=1S/C22H20N2O4/c1-13(15-7-3-5-9-19(15)25)23-17-11-18(22(28)12-21(17)27)24-14(2)16-8-4-6-10-20(16)26/h3-12,25-28H,1-2H3/b23-13+,24-14+
InChIKeyNFVKFEXVICXOJJ-RNIAWFEPSA-N
MW376.41 g/mol
LogP4.79
Rot. Bonds4

About 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol

4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol (PubChem CID 136835617) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
PubChem CID136835617
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol
SMILESC/C(=N\c1cc(/N=C(\C)c2ccccc2O)c(O)cc1O)c1ccccc1O
InChIInChI=1S/C22H20N2O4/c1-13(15-7-3-5-9-19(15)25)23-17-11-18(22(28)12-21(17)27)24-14(2)16-8-4-6-10-20(16)26/h3-12,25-28H,1-2H3/b23-13+,24-14+
InChIKeyNFVKFEXVICXOJJ-RNIAWFEPSA-N
XLogP4.79
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol?
The IUPAC name of 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol (CID 136835617) is 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol.
What is the SMILES notation for 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol?
The canonical SMILES for 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol is C/C(=N\c1cc(/N=C(\C)c2ccccc2O)c(O)cc1O)c1ccccc1O.
What is the InChIKey of 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol?
The InChIKey is NFVKFEXVICXOJJ-RNIAWFEPSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13(15-7-3-5-9-19(15)25)23-17-11-18(22(28)12-21(17)27)24-14(2)16-8-4-6-10-20(16)26/h3-12,25-28H,1-2H3/b23-13+,24-14+.
What are the key properties of 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol?
4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol has a molecular weight of 376.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-diol is sourced from PubChem (CID 136835617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).