6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione

C11H12O3 — CID 139679001

IUPAC6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione
SMILESCOC1C=CC2=C(C1)C(=O)CCC2=O
InChIInChI=1S/C11H12O3/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,7H,4-6H2,1H3
InChIKeyZYJKKEDEDVKFBR-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.19
Rot. Bonds1

About 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione

6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione (PubChem CID 139679001) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione.

Molecular Properties

Compound Name6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione
PubChem CID139679001
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione
SMILESCOC1C=CC2=C(C1)C(=O)CCC2=O
InChIInChI=1S/C11H12O3/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,7H,4-6H2,1H3
InChIKeyZYJKKEDEDVKFBR-UHFFFAOYSA-N
XLogP1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione?
The IUPAC name of 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione (CID 139679001) is 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione.
What is the SMILES notation for 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione?
The canonical SMILES for 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione is COC1C=CC2=C(C1)C(=O)CCC2=O.
What is the InChIKey of 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione?
The InChIKey is ZYJKKEDEDVKFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,7H,4-6H2,1H3.
What are the key properties of 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione?
6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione has a molecular weight of 192.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,5,6-tetrahydronaphthalene-1,4-dione is sourced from PubChem (CID 139679001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).