5-methylanthracene-1,4,9,10-tetrone

C15H8O4 — CID 70601050

IUPAC5-methylanthracene-1,4,9,10-tetrone
SMILESCc1cccc2c(=O)c3c(=O)ccc(=O)c=3c(=O)c12
InChIInChI=1S/C15H8O4/c1-7-3-2-4-8-11(7)15(19)13-10(17)6-5-9(16)12(13)14(8)18/h2-6H,1H3
InChIKeyXUCYXSUZXHWLEY-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.19
Rot. Bonds

About 5-methylanthracene-1,4,9,10-tetrone

5-methylanthracene-1,4,9,10-tetrone (PubChem CID 70601050) has the molecular formula C15H8O4 and a molecular weight of 252.22 g/mol. Its IUPAC name is 5-methylanthracene-1,4,9,10-tetrone.

Molecular Properties

Compound Name5-methylanthracene-1,4,9,10-tetrone
PubChem CID70601050
Molecular FormulaC15H8O4
Molecular Weight252.22 g/mol
Exact Mass252.04
IUPAC Name5-methylanthracene-1,4,9,10-tetrone
SMILESCc1cccc2c(=O)c3c(=O)ccc(=O)c=3c(=O)c12
InChIInChI=1S/C15H8O4/c1-7-3-2-4-8-11(7)15(19)13-10(17)6-5-9(16)12(13)14(8)18/h2-6H,1H3
InChIKeyXUCYXSUZXHWLEY-UHFFFAOYSA-N
XLogP0.19
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methylanthracene-1,4,9,10-tetrone?
The IUPAC name of 5-methylanthracene-1,4,9,10-tetrone (CID 70601050) is 5-methylanthracene-1,4,9,10-tetrone.
What is the SMILES notation for 5-methylanthracene-1,4,9,10-tetrone?
The canonical SMILES for 5-methylanthracene-1,4,9,10-tetrone is Cc1cccc2c(=O)c3c(=O)ccc(=O)c=3c(=O)c12.
What is the InChIKey of 5-methylanthracene-1,4,9,10-tetrone?
The InChIKey is XUCYXSUZXHWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O4/c1-7-3-2-4-8-11(7)15(19)13-10(17)6-5-9(16)12(13)14(8)18/h2-6H,1H3.
What are the key properties of 5-methylanthracene-1,4,9,10-tetrone?
5-methylanthracene-1,4,9,10-tetrone has a molecular weight of 252.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylanthracene-1,4,9,10-tetrone is sourced from PubChem (CID 70601050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).