9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C20H16O5 — CID 13051574

IUPAC9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)C1(O)CCc2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1
InChIInChI=1S/C20H16O5/c1-10(21)20(25)7-6-12-11(9-20)8-15-16(18(12)23)19(24)14-5-3-2-4-13(14)17(15)22/h2-5,8,23,25H,6-7,9H2,1H3
InChIKeyMGCYXYQPFUKLTA-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.98
Rot. Bonds1

About 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 13051574) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID13051574
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)C1(O)CCc2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1
InChIInChI=1S/C20H16O5/c1-10(21)20(25)7-6-12-11(9-20)8-15-16(18(12)23)19(24)14-5-3-2-4-13(14)17(15)22/h2-5,8,23,25H,6-7,9H2,1H3
InChIKeyMGCYXYQPFUKLTA-UHFFFAOYSA-N
XLogP1.98
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 13051574) is 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione is CC(=O)C1(O)CCc2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1.
What is the InChIKey of 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is MGCYXYQPFUKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-10(21)20(25)7-6-12-11(9-20)8-15-16(18(12)23)19(24)14-5-3-2-4-13(14)17(15)22/h2-5,8,23,25H,6-7,9H2,1H3.
What are the key properties of 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 336.34 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 13051574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).