2-ethylanthracene-9,10-dione

C16H12O2 — CID 6772

IUPAC2-ethylanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
InChIKeySJEBAWHUJDUKQK-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.02
Rot. Bonds1

About 2-ethylanthracene-9,10-dione

2-ethylanthracene-9,10-dione (PubChem CID 6772) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethylanthracene-9,10-dione.

Molecular Properties

Compound Name2-ethylanthracene-9,10-dione
PubChem CID6772
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name2-ethylanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
InChIKeySJEBAWHUJDUKQK-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylanthracene-9,10-dione?
The IUPAC name of 2-ethylanthracene-9,10-dione (CID 6772) is 2-ethylanthracene-9,10-dione.
What is the SMILES notation for 2-ethylanthracene-9,10-dione?
The canonical SMILES for 2-ethylanthracene-9,10-dione is CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-ethylanthracene-9,10-dione?
The InChIKey is SJEBAWHUJDUKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3.
What are the key properties of 2-ethylanthracene-9,10-dione?
2-ethylanthracene-9,10-dione has a molecular weight of 236.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylanthracene-9,10-dione is sourced from PubChem (CID 6772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).