7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione

C17H14O4 — CID 156783023

IUPAC7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
SMILESCOc1ccc2c(c1C)C(=O)c1cc(O)c(C)cc1C2=O
InChIInChI=1S/C17H14O4/c1-8-6-11-12(7-13(8)18)17(20)15-9(2)14(21-3)5-4-10(15)16(11)19/h4-7,18H,1-3H3
InChIKeyMHMIIVKIIIZXOB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds1

About 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione

7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione (PubChem CID 156783023) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione.

Molecular Properties

Compound Name7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
PubChem CID156783023
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
SMILESCOc1ccc2c(c1C)C(=O)c1cc(O)c(C)cc1C2=O
InChIInChI=1S/C17H14O4/c1-8-6-11-12(7-13(8)18)17(20)15-9(2)14(21-3)5-4-10(15)16(11)19/h4-7,18H,1-3H3
InChIKeyMHMIIVKIIIZXOB-UHFFFAOYSA-N
XLogP2.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione?
The IUPAC name of 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione (CID 156783023) is 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione.
What is the SMILES notation for 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione?
The canonical SMILES for 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione is COc1ccc2c(c1C)C(=O)c1cc(O)c(C)cc1C2=O.
What is the InChIKey of 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione?
The InChIKey is MHMIIVKIIIZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-8-6-11-12(7-13(8)18)17(20)15-9(2)14(21-3)5-4-10(15)16(11)19/h4-7,18H,1-3H3.
What are the key properties of 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione?
7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione has a molecular weight of 282.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione is sourced from PubChem (CID 156783023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).