9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione

C22H20O6 — CID 12819113

IUPAC9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCOc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CC(O)(C(C)=O)CC2
InChIInChI=1S/C22H20O6/c1-11(23)22(26)9-8-14-15(10-22)21(28-3)17-16(20(14)27-2)18(24)12-6-4-5-7-13(12)19(17)25/h4-7,26H,8-10H2,1-3H3
InChIKeyKOTIZSPABVYPJX-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.29
Rot. Bonds3

About 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione

9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 12819113) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID12819113
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCOc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CC(O)(C(C)=O)CC2
InChIInChI=1S/C22H20O6/c1-11(23)22(26)9-8-14-15(10-22)21(28-3)17-16(20(14)27-2)18(24)12-6-4-5-7-13(12)19(17)25/h4-7,26H,8-10H2,1-3H3
InChIKeyKOTIZSPABVYPJX-UHFFFAOYSA-N
XLogP2.29
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-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 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 12819113) is 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione is COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CC(O)(C(C)=O)CC2.
What is the InChIKey of 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is KOTIZSPABVYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-11(23)22(26)9-8-14-15(10-22)21(28-3)17-16(20(14)27-2)18(24)12-6-4-5-7-13(12)19(17)25/h4-7,26H,8-10H2,1-3H3.
What are the key properties of 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione?
9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 380.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 12819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).