benzo[a]anthracene-6,12-dione

C18H10O2 — CID 171714643

IUPACbenzo[a]anthracene-6,12-dione
SMILESO=C1C=c2ccccc2=C2C(=O)c3ccccc3C=C12
InChIInChI=1S/C18H10O2/c19-16-10-12-6-1-3-7-13(12)17-15(16)9-11-5-2-4-8-14(11)18(17)20/h1-10H
InChIKeyGXHMBQZIHTUGBN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.48
Rot. Bonds

About benzo[a]anthracene-6,12-dione

benzo[a]anthracene-6,12-dione (PubChem CID 171714643) has the molecular formula C18H10O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is benzo[a]anthracene-6,12-dione.

Molecular Properties

Compound Namebenzo[a]anthracene-6,12-dione
PubChem CID171714643
Molecular FormulaC18H10O2
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Namebenzo[a]anthracene-6,12-dione
SMILESO=C1C=c2ccccc2=C2C(=O)c3ccccc3C=C12
InChIInChI=1S/C18H10O2/c19-16-10-12-6-1-3-7-13(12)17-15(16)9-11-5-2-4-8-14(11)18(17)20/h1-10H
InChIKeyGXHMBQZIHTUGBN-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[a]anthracene-6,12-dione?
The IUPAC name of benzo[a]anthracene-6,12-dione (CID 171714643) is benzo[a]anthracene-6,12-dione.
What is the SMILES notation for benzo[a]anthracene-6,12-dione?
The canonical SMILES for benzo[a]anthracene-6,12-dione is O=C1C=c2ccccc2=C2C(=O)c3ccccc3C=C12.
What is the InChIKey of benzo[a]anthracene-6,12-dione?
The InChIKey is GXHMBQZIHTUGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O2/c19-16-10-12-6-1-3-7-13(12)17-15(16)9-11-5-2-4-8-14(11)18(17)20/h1-10H.
What are the key properties of benzo[a]anthracene-6,12-dione?
benzo[a]anthracene-6,12-dione has a molecular weight of 258.28 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]anthracene-6,12-dione is sourced from PubChem (CID 171714643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).