5,6-dihydroxycyclohexa-2,4-dien-1-one

C6H6O3 — CID 101386046

IUPAC5,6-dihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(O)C1O
InChIInChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,6-7,9H
InChIKeyUZOKZOGZSBYLIK-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.07
Rot. Bonds

About 5,6-dihydroxycyclohexa-2,4-dien-1-one

5,6-dihydroxycyclohexa-2,4-dien-1-one (PubChem CID 101386046) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5,6-dihydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5,6-dihydroxycyclohexa-2,4-dien-1-one
PubChem CID101386046
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name5,6-dihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(O)C1O
InChIInChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,6-7,9H
InChIKeyUZOKZOGZSBYLIK-UHFFFAOYSA-N
XLogP-0.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 5,6-dihydroxycyclohexa-2,4-dien-1-one (CID 101386046) is 5,6-dihydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5,6-dihydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 5,6-dihydroxycyclohexa-2,4-dien-1-one is O=C1C=CC=C(O)C1O.
What is the InChIKey of 5,6-dihydroxycyclohexa-2,4-dien-1-one?
The InChIKey is UZOKZOGZSBYLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,6-7,9H.
What are the key properties of 5,6-dihydroxycyclohexa-2,4-dien-1-one?
5,6-dihydroxycyclohexa-2,4-dien-1-one has a molecular weight of 126.11 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 101386046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).