1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol

C18H20N2O2 — CID 135816637

IUPAC1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol
SMILESCC/N=C1\CC/C(=N\CC)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C18H20N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-8,21-22H,3-4,9-10H2,1-2H3/b19-13+,20-14+
InChIKeyWDFLAPBHYIIIIV-IWGRKNQJSA-N
MW296.37 g/mol
LogP3.66
Rot. Bonds2

About 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol

1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol (PubChem CID 135816637) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol
PubChem CID135816637
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol
SMILESCC/N=C1\CC/C(=N\CC)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C18H20N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-8,21-22H,3-4,9-10H2,1-2H3/b19-13+,20-14+
InChIKeyWDFLAPBHYIIIIV-IWGRKNQJSA-N
XLogP3.66
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol?
The IUPAC name of 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol (CID 135816637) is 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol.
What is the SMILES notation for 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol?
The canonical SMILES for 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol is CC/N=C1\CC/C(=N\CC)c2c1c(O)c1ccccc1c2O.
What is the InChIKey of 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol?
The InChIKey is WDFLAPBHYIIIIV-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-8,21-22H,3-4,9-10H2,1-2H3/b19-13+,20-14+.
What are the key properties of 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol?
1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol has a molecular weight of 296.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethylimino)-2,3-dihydroanthracene-9,10-diol is sourced from PubChem (CID 135816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).