2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione

C12H10O5 — CID 24976352

IUPAC2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(O)=C(c2ccoc2C)C1=O
InChIInChI=1S/C12H10O5/c1-6-7(3-4-17-6)10-11(14)8(13)5-9(16-2)12(10)15/h3-5,14H,1-2H3
InChIKeyUFWXJKVFRKBOSM-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.54
Rot. Bonds2

About 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione

2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 24976352) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione
PubChem CID24976352
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(O)=C(c2ccoc2C)C1=O
InChIInChI=1S/C12H10O5/c1-6-7(3-4-17-6)10-11(14)8(13)5-9(16-2)12(10)15/h3-5,14H,1-2H3
InChIKeyUFWXJKVFRKBOSM-UHFFFAOYSA-N
XLogP1.54
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione (CID 24976352) is 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione is COC1=CC(=O)C(O)=C(c2ccoc2C)C1=O.
What is the InChIKey of 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is UFWXJKVFRKBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-6-7(3-4-17-6)10-11(14)8(13)5-9(16-2)12(10)15/h3-5,14H,1-2H3.
What are the key properties of 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione?
2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 234.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 24976352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).