2-methylanthracene-9,10-dione

C15H10O2 — CID 6773

IUPAC2-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKeyNJWGQARXZDRHCD-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.77
Rot. Bonds

About 2-methylanthracene-9,10-dione

2-methylanthracene-9,10-dione (PubChem CID 6773) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-methylanthracene-9,10-dione
PubChem CID6773
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name2-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKeyNJWGQARXZDRHCD-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.77
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-methylanthracene-9,10-dione?
The IUPAC name of 2-methylanthracene-9,10-dione (CID 6773) is 2-methylanthracene-9,10-dione.
What is the SMILES notation for 2-methylanthracene-9,10-dione?
The canonical SMILES for 2-methylanthracene-9,10-dione is Cc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methylanthracene-9,10-dione?
The InChIKey is NJWGQARXZDRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3.
What are the key properties of 2-methylanthracene-9,10-dione?
2-methylanthracene-9,10-dione has a molecular weight of 222.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylanthracene-9,10-dione is sourced from PubChem (CID 6773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).