11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione

C21H16O5 — CID 10066319

IUPAC11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
SMILESCOc1cccc2c1C(=O)c1c(cc3cc(C)cc(OC)c3c1O)C2=O
InChIInChI=1S/C21H16O5/c1-10-7-11-9-13-18(20(23)16(11)15(8-10)26-3)21(24)17-12(19(13)22)5-4-6-14(17)25-2/h4-9,23H,1-3H3
InChIKeyXLDXVNRWUFCXFC-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.65
Rot. Bonds2

About 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione

11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione (PubChem CID 10066319) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione.

Molecular Properties

Compound Name11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
PubChem CID10066319
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Name11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
SMILESCOc1cccc2c1C(=O)c1c(cc3cc(C)cc(OC)c3c1O)C2=O
InChIInChI=1S/C21H16O5/c1-10-7-11-9-13-18(20(23)16(11)15(8-10)26-3)21(24)17-12(19(13)22)5-4-6-14(17)25-2/h4-9,23H,1-3H3
InChIKeyXLDXVNRWUFCXFC-UHFFFAOYSA-N
XLogP3.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione?
The IUPAC name of 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione (CID 10066319) is 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione.
What is the SMILES notation for 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione?
The canonical SMILES for 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione is COc1cccc2c1C(=O)c1c(cc3cc(C)cc(OC)c3c1O)C2=O.
What is the InChIKey of 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione?
The InChIKey is XLDXVNRWUFCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c1-10-7-11-9-13-18(20(23)16(11)15(8-10)26-3)21(24)17-12(19(13)22)5-4-6-14(17)25-2/h4-9,23H,1-3H3.
What are the key properties of 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione?
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione has a molecular weight of 348.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione is sourced from PubChem (CID 10066319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).