5,6,7,8-tetrahydroanthracene-1,4-dione

C14H12O2 — CID 44582382

IUPAC5,6,7,8-tetrahydroanthracene-1,4-dione
SMILESO=C1C=CC(=O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h5-8H,1-4H2
InChIKeyDWXLNXHEUIUNRF-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.50
Rot. Bonds

About 5,6,7,8-tetrahydroanthracene-1,4-dione

5,6,7,8-tetrahydroanthracene-1,4-dione (PubChem CID 44582382) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroanthracene-1,4-dione.

Molecular Properties

Compound Name5,6,7,8-tetrahydroanthracene-1,4-dione
PubChem CID44582382
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name5,6,7,8-tetrahydroanthracene-1,4-dione
SMILESO=C1C=CC(=O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h5-8H,1-4H2
InChIKeyDWXLNXHEUIUNRF-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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 5,6,7,8-tetrahydroanthracene-1,4-dione?
The IUPAC name of 5,6,7,8-tetrahydroanthracene-1,4-dione (CID 44582382) is 5,6,7,8-tetrahydroanthracene-1,4-dione.
What is the SMILES notation for 5,6,7,8-tetrahydroanthracene-1,4-dione?
The canonical SMILES for 5,6,7,8-tetrahydroanthracene-1,4-dione is O=C1C=CC(=O)c2cc3c(cc21)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydroanthracene-1,4-dione?
The InChIKey is DWXLNXHEUIUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h5-8H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydroanthracene-1,4-dione?
5,6,7,8-tetrahydroanthracene-1,4-dione has a molecular weight of 212.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroanthracene-1,4-dione is sourced from PubChem (CID 44582382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).