2-(2-hydroxyiminoethyl)anthracene-9,10-dione

C16H11NO3 — CID 3778978

IUPAC2-(2-hydroxyiminoethyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(CC=NO)ccc21
InChIInChI=1S/C16H11NO3/c18-15-11-3-1-2-4-12(11)16(19)14-9-10(7-8-17-20)5-6-13(14)15/h1-6,8-9,20H,7H2
InChIKeyMBDVNMDOGAEWAC-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.46
Rot. Bonds2

About 2-(2-hydroxyiminoethyl)anthracene-9,10-dione

2-(2-hydroxyiminoethyl)anthracene-9,10-dione (PubChem CID 3778978) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(2-hydroxyiminoethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(2-hydroxyiminoethyl)anthracene-9,10-dione
PubChem CID3778978
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(2-hydroxyiminoethyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(CC=NO)ccc21
InChIInChI=1S/C16H11NO3/c18-15-11-3-1-2-4-12(11)16(19)14-9-10(7-8-17-20)5-6-13(14)15/h1-6,8-9,20H,7H2
InChIKeyMBDVNMDOGAEWAC-UHFFFAOYSA-N
XLogP2.46
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-(2-hydroxyiminoethyl)anthracene-9,10-dione?
The IUPAC name of 2-(2-hydroxyiminoethyl)anthracene-9,10-dione (CID 3778978) is 2-(2-hydroxyiminoethyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(2-hydroxyiminoethyl)anthracene-9,10-dione?
The canonical SMILES for 2-(2-hydroxyiminoethyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(CC=NO)ccc21.
What is the InChIKey of 2-(2-hydroxyiminoethyl)anthracene-9,10-dione?
The InChIKey is MBDVNMDOGAEWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-11-3-1-2-4-12(11)16(19)14-9-10(7-8-17-20)5-6-13(14)15/h1-6,8-9,20H,7H2.
What are the key properties of 2-(2-hydroxyiminoethyl)anthracene-9,10-dione?
2-(2-hydroxyiminoethyl)anthracene-9,10-dione has a molecular weight of 265.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyiminoethyl)anthracene-9,10-dione is sourced from PubChem (CID 3778978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).