1,2-dimethoxy-6-methylanthracene-9,10-dione

C17H14O4 — CID 71593667

IUPAC1,2-dimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1ccc2c(c1OC)C(=O)c1ccc(C)cc1C2=O
InChIInChI=1S/C17H14O4/c1-9-4-5-10-12(8-9)15(18)11-6-7-13(20-2)17(21-3)14(11)16(10)19/h4-8H,1-3H3
InChIKeyIOKYSVJVPCWANF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds2

About 1,2-dimethoxy-6-methylanthracene-9,10-dione

1,2-dimethoxy-6-methylanthracene-9,10-dione (PubChem CID 71593667) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,2-dimethoxy-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,2-dimethoxy-6-methylanthracene-9,10-dione
PubChem CID71593667
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1,2-dimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1ccc2c(c1OC)C(=O)c1ccc(C)cc1C2=O
InChIInChI=1S/C17H14O4/c1-9-4-5-10-12(8-9)15(18)11-6-7-13(20-2)17(21-3)14(11)16(10)19/h4-8H,1-3H3
InChIKeyIOKYSVJVPCWANF-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 1,2-dimethoxy-6-methylanthracene-9,10-dione?
The IUPAC name of 1,2-dimethoxy-6-methylanthracene-9,10-dione (CID 71593667) is 1,2-dimethoxy-6-methylanthracene-9,10-dione.
What is the SMILES notation for 1,2-dimethoxy-6-methylanthracene-9,10-dione?
The canonical SMILES for 1,2-dimethoxy-6-methylanthracene-9,10-dione is COc1ccc2c(c1OC)C(=O)c1ccc(C)cc1C2=O.
What is the InChIKey of 1,2-dimethoxy-6-methylanthracene-9,10-dione?
The InChIKey is IOKYSVJVPCWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-4-5-10-12(8-9)15(18)11-6-7-13(20-2)17(21-3)14(11)16(10)19/h4-8H,1-3H3.
What are the key properties of 1,2-dimethoxy-6-methylanthracene-9,10-dione?
1,2-dimethoxy-6-methylanthracene-9,10-dione has a molecular weight of 282.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-6-methylanthracene-9,10-dione is sourced from PubChem (CID 71593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).