5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

C8H8O4 — CID 10583219

IUPAC5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(C)C(=O)C(O)=CC1=O
InChIInChI=1S/C8H8O4/c1-4-7(11)5(9)3-6(10)8(4)12-2/h3,9H,1-2H3
InChIKeyNYYRKFLYEIGIDD-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.50
Rot. Bonds1

About 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 10583219) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID10583219
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(C)C(=O)C(O)=CC1=O
InChIInChI=1S/C8H8O4/c1-4-7(11)5(9)3-6(10)8(4)12-2/h3,9H,1-2H3
InChIKeyNYYRKFLYEIGIDD-UHFFFAOYSA-N
XLogP0.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-methyl(513C)cyclohexa-2,5-diene-1,4-dione
CID 102024509
2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
CID 145481857
3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 642461
2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
CID 10559424
(4Z)-4-(3-methoxy-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 20652733
iron;2,3,5-trihydroxycyclohexa-2,5-diene-1,4-dione
CID 175482341
CID 175845631
CID 175845631
2-deuterio-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 46850868
2,5-dihydroxy-3-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 18006464
2-iodo-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 135008418
3-hydroxy-5-propan-2-ylcyclohexa-3,5-diene-1,2-dione
CID 58177513
3-bromo-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 56599631

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione (CID 10583219) is 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione is COC1=C(C)C(=O)C(O)=CC1=O.
What is the InChIKey of 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is NYYRKFLYEIGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-4-7(11)5(9)3-6(10)8(4)12-2/h3,9H,1-2H3.
What are the key properties of 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 168.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10583219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).