6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

C16H16O2 — CID 27376

IUPAC6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O
InChIInChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
InChIKeyPXLXSNXYTNRKFR-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.50
Rot. Bonds1

About 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 27376) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID27376
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O
InChIInChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
InChIKeyPXLXSNXYTNRKFR-UHFFFAOYSA-N
XLogP3.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.50
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 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione (CID 27376) is 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione is CCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O.
What is the InChIKey of 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is PXLXSNXYTNRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3.
What are the key properties of 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 240.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 27376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).