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

C7H8O4 — CID 141109500

IUPAC2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(O)C(=O)C(O)=C1
InChIInChI=1S/C7H8O4/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,5,8-9H,1H3
InChIKeySTSNOZIZQRUNGL-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.10
Rot. Bonds1

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

2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one (PubChem CID 141109500) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
PubChem CID141109500
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC(O)C(=O)C(O)=C1
InChIInChI=1S/C7H8O4/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,5,8-9H,1H3
InChIKeySTSNOZIZQRUNGL-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one (CID 141109500) is 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one is COC1=CC(O)C(=O)C(O)=C1.
What is the InChIKey of 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is STSNOZIZQRUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,5,8-9H,1H3.
What are the key properties of 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one?
2,6-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 2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141109500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).