1,8,8a,9a-tetrahydroanthracene-9,10-dione

C14H12O2 — CID 25051791

IUPAC1,8,8a,9a-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=CC=CCC2C(=O)C2CC=CC=C12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-5,7,10,12H,6,8H2
InChIKeyNSGKMOBHNUJJOW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.14
Rot. Bonds

About 1,8,8a,9a-tetrahydroanthracene-9,10-dione

1,8,8a,9a-tetrahydroanthracene-9,10-dione (PubChem CID 25051791) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,8,8a,9a-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1,8,8a,9a-tetrahydroanthracene-9,10-dione
PubChem CID25051791
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1,8,8a,9a-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=CC=CCC2C(=O)C2CC=CC=C12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-5,7,10,12H,6,8H2
InChIKeyNSGKMOBHNUJJOW-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8,8a,9a-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1,8,8a,9a-tetrahydroanthracene-9,10-dione (CID 25051791) is 1,8,8a,9a-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1,8,8a,9a-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1,8,8a,9a-tetrahydroanthracene-9,10-dione is O=C1C2=CC=CCC2C(=O)C2CC=CC=C12.
What is the InChIKey of 1,8,8a,9a-tetrahydroanthracene-9,10-dione?
The InChIKey is NSGKMOBHNUJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-5,7,10,12H,6,8H2.
What are the key properties of 1,8,8a,9a-tetrahydroanthracene-9,10-dione?
1,8,8a,9a-tetrahydroanthracene-9,10-dione has a molecular weight of 212.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8a,9a-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 25051791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).