4,6-bis(benzylideneamino)benzene-1,3-diol

C20H16N2O2 — CID 58816982

IUPAC4,6-bis(benzylideneamino)benzene-1,3-diol
SMILESOc1cc(O)c(/N=C/c2ccccc2)cc1/N=C/c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-12-20(24)18(22-14-16-9-5-2-6-10-16)11-17(19)21-13-15-7-3-1-4-8-15/h1-14,23-24H/b21-13+,22-14+
InChIKeyRTIDFPLZJYYSBP-JFMUQQRKSA-N
MW316.36 g/mol
LogP4.60
Rot. Bonds4

About 4,6-bis(benzylideneamino)benzene-1,3-diol

4,6-bis(benzylideneamino)benzene-1,3-diol (PubChem CID 58816982) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4,6-bis(benzylideneamino)benzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis(benzylideneamino)benzene-1,3-diol
PubChem CID58816982
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4,6-bis(benzylideneamino)benzene-1,3-diol
SMILESOc1cc(O)c(/N=C/c2ccccc2)cc1/N=C/c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-12-20(24)18(22-14-16-9-5-2-6-10-16)11-17(19)21-13-15-7-3-1-4-8-15/h1-14,23-24H/b21-13+,22-14+
InChIKeyRTIDFPLZJYYSBP-JFMUQQRKSA-N
XLogP4.60
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(benzylideneamino)benzene-1,3-diol?
The IUPAC name of 4,6-bis(benzylideneamino)benzene-1,3-diol (CID 58816982) is 4,6-bis(benzylideneamino)benzene-1,3-diol.
What is the SMILES notation for 4,6-bis(benzylideneamino)benzene-1,3-diol?
The canonical SMILES for 4,6-bis(benzylideneamino)benzene-1,3-diol is Oc1cc(O)c(/N=C/c2ccccc2)cc1/N=C/c1ccccc1.
What is the InChIKey of 4,6-bis(benzylideneamino)benzene-1,3-diol?
The InChIKey is RTIDFPLZJYYSBP-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-12-20(24)18(22-14-16-9-5-2-6-10-16)11-17(19)21-13-15-7-3-1-4-8-15/h1-14,23-24H/b21-13+,22-14+.
What are the key properties of 4,6-bis(benzylideneamino)benzene-1,3-diol?
4,6-bis(benzylideneamino)benzene-1,3-diol has a molecular weight of 316.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(benzylideneamino)benzene-1,3-diol is sourced from PubChem (CID 58816982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).