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

C14H12O2 — CID 18624886

IUPAC1,8a,9a,10a-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=CC=CCC2C(=O)C2C=CC=CC12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-7,9-10,12H,8H2
InChIKeyPTBVXOOUKUASHC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.00
Rot. Bonds

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

1,8a,9a,10a-tetrahydroanthracene-9,10-dione (PubChem CID 18624886) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,8a,9a,10a-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1,8a,9a,10a-tetrahydroanthracene-9,10-dione
PubChem CID18624886
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1,8a,9a,10a-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=CC=CCC2C(=O)C2C=CC=CC12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-7,9-10,12H,8H2
InChIKeyPTBVXOOUKUASHC-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,8a,9a,10a-tetrahydroanthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1,8a,9a,10a-tetrahydroanthracene-9,10-dione (CID 18624886) is 1,8a,9a,10a-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1,8a,9a,10a-tetrahydroanthracene-9,10-dione is O=C1C2=CC=CCC2C(=O)C2C=CC=CC12.
What is the InChIKey of 1,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The InChIKey is PTBVXOOUKUASHC-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/h1-7,9-10,12H,8H2.
What are the key properties of 1,8a,9a,10a-tetrahydroanthracene-9,10-dione?
1,8a,9a,10a-tetrahydroanthracene-9,10-dione has a molecular weight of 212.25 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a,9a,10a-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 18624886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).