1,2-dihydrocyclobuta[a]anthracene-5,10-dione

C16H10O2 — CID 23511070

IUPAC1,2-dihydrocyclobuta[a]anthracene-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2CC1
InChIInChI=1S/C16H10O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(10)6-8-13(14)15/h1-4,6,8H,5,7H2
InChIKeyLAWYQLAYTUUWHB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.56
Rot. Bonds

About 1,2-dihydrocyclobuta[a]anthracene-5,10-dione

1,2-dihydrocyclobuta[a]anthracene-5,10-dione (PubChem CID 23511070) has the molecular formula C16H10O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1,2-dihydrocyclobuta[a]anthracene-5,10-dione.

Molecular Properties

Compound Name1,2-dihydrocyclobuta[a]anthracene-5,10-dione
PubChem CID23511070
Molecular FormulaC16H10O2
Molecular Weight234.25 g/mol
Exact Mass234.07
IUPAC Name1,2-dihydrocyclobuta[a]anthracene-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2CC1
InChIInChI=1S/C16H10O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(10)6-8-13(14)15/h1-4,6,8H,5,7H2
InChIKeyLAWYQLAYTUUWHB-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.56
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 1,2-dihydrocyclobuta[a]anthracene-5,10-dione?
The IUPAC name of 1,2-dihydrocyclobuta[a]anthracene-5,10-dione (CID 23511070) is 1,2-dihydrocyclobuta[a]anthracene-5,10-dione.
What is the SMILES notation for 1,2-dihydrocyclobuta[a]anthracene-5,10-dione?
The canonical SMILES for 1,2-dihydrocyclobuta[a]anthracene-5,10-dione is O=C1c2ccccc2C(=O)c2c1ccc1c2CC1.
What is the InChIKey of 1,2-dihydrocyclobuta[a]anthracene-5,10-dione?
The InChIKey is LAWYQLAYTUUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(10)6-8-13(14)15/h1-4,6,8H,5,7H2.
What are the key properties of 1,2-dihydrocyclobuta[a]anthracene-5,10-dione?
1,2-dihydrocyclobuta[a]anthracene-5,10-dione has a molecular weight of 234.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrocyclobuta[a]anthracene-5,10-dione is sourced from PubChem (CID 23511070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).