6-methylbenzo[a]anthracene-7,12-dione

C19H12O2 — CID 12934886

IUPAC6-methylbenzo[a]anthracene-7,12-dione
SMILESCc1cc2ccccc2c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12O2/c1-11-10-12-6-2-3-7-13(12)17-16(11)18(20)14-8-4-5-9-15(14)19(17)21/h2-10H,1H3
InChIKeyJOSBIZRNACYAAN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.92
Rot. Bonds

About 6-methylbenzo[a]anthracene-7,12-dione

6-methylbenzo[a]anthracene-7,12-dione (PubChem CID 12934886) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-methylbenzo[a]anthracene-7,12-dione.

Molecular Properties

Compound Name6-methylbenzo[a]anthracene-7,12-dione
PubChem CID12934886
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name6-methylbenzo[a]anthracene-7,12-dione
SMILESCc1cc2ccccc2c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12O2/c1-11-10-12-6-2-3-7-13(12)17-16(11)18(20)14-8-4-5-9-15(14)19(17)21/h2-10H,1H3
InChIKeyJOSBIZRNACYAAN-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.92
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 6-methylbenzo[a]anthracene-7,12-dione?
The IUPAC name of 6-methylbenzo[a]anthracene-7,12-dione (CID 12934886) is 6-methylbenzo[a]anthracene-7,12-dione.
What is the SMILES notation for 6-methylbenzo[a]anthracene-7,12-dione?
The canonical SMILES for 6-methylbenzo[a]anthracene-7,12-dione is Cc1cc2ccccc2c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 6-methylbenzo[a]anthracene-7,12-dione?
The InChIKey is JOSBIZRNACYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c1-11-10-12-6-2-3-7-13(12)17-16(11)18(20)14-8-4-5-9-15(14)19(17)21/h2-10H,1H3.
What are the key properties of 6-methylbenzo[a]anthracene-7,12-dione?
6-methylbenzo[a]anthracene-7,12-dione has a molecular weight of 272.30 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[a]anthracene-7,12-dione is sourced from PubChem (CID 12934886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).