5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one

C7H8O4 — CID 141070402

IUPAC5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=C(O)C(O)C(=O)C=C1
InChIInChI=1S/C7H8O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,6,9-10H,1H3
InChIKeyIWUALICUTSSCIL-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.10
Rot. Bonds1

About 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one

5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one (PubChem CID 141070402) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
PubChem CID141070402
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=C(O)C(O)C(=O)C=C1
InChIInChI=1S/C7H8O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,6,9-10H,1H3
InChIKeyIWUALICUTSSCIL-UHFFFAOYSA-N
XLogP-0.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ketocatechol
CID 101386046
Orcolon
CID 129638177
Hydroxyketocatechol
CID 129689339
(2E,6E)-6-ethoxy-5-hydroxynona-2,6,8-trien-4-one
CID 10397780
3-Hydroxy-4-methoxycyclohexa-3,5-diene-1,2-dione
CID 67312111
6-Hydroxy-5-methoxycyclohexa-2,4-dien-1-one
CID 124197366
3,4,5,6-Tetrahydroxy-2-methoxycyclohexa-2,4-dien-1-one
CID 138627280
6-Hydroxy-4-methoxycyclohexa-2,4-dien-1-one
CID 140968945
3,4,5,6-Tetrahydroxycyclohexa-2,4-dien-1-one
CID 141100331
2,6-Dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
CID 141109500
3-Hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one
CID 141241997
6-Hydroxy-3-methoxycyclohexa-2,4-dien-1-one
CID 154465810

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one (CID 141070402) is 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one is COC1=C(O)C(O)C(=O)C=C1.
What is the InChIKey of 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is IWUALICUTSSCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,6,9-10H,1H3.
What are the key properties of 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one has a molecular weight of 156.14 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141070402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).