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

C16H16N2O4 — CID 135463693

IUPAC(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol
SMILESCO/N=C1\CC/C(=N\OC)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C16H16N2O4/c1-21-17-11-7-8-12(18-22-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-6,19-20H,7-8H2,1-2H3/b17-11+,18-12+
InChIKeyZXHYFQQCSQNJMW-JYFOCSDGSA-N
MW300.31 g/mol
LogP2.75
Rot. Bonds2

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

(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol (PubChem CID 135463693) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol
PubChem CID135463693
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol
SMILESCO/N=C1\CC/C(=N\OC)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C16H16N2O4/c1-21-17-11-7-8-12(18-22-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-6,19-20H,7-8H2,1-2H3/b17-11+,18-12+
InChIKeyZXHYFQQCSQNJMW-JYFOCSDGSA-N
XLogP2.75
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol?
The IUPAC name of (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol (CID 135463693) is (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol.
What is the SMILES notation for (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol?
The canonical SMILES for (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol is CO/N=C1\CC/C(=N\OC)c2c1c(O)c1ccccc1c2O.
What is the InChIKey of (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol?
The InChIKey is ZXHYFQQCSQNJMW-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-17-11-7-8-12(18-22-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-6,19-20H,7-8H2,1-2H3/b17-11+,18-12+.
What are the key properties of (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol?
(1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol has a molecular weight of 300.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,4-bis(methoxyimino)-2,3-dihydroanthracene-9,10-diol is sourced from PubChem (CID 135463693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).