2,3,4-trihydroxycyclohex-2-en-1-one

C6H8O4 — CID 141282739

IUPAC2,3,4-trihydroxycyclohex-2-en-1-one
SMILESO=C1CCC(O)C(O)=C1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3,7,9-10H,1-2H2
InChIKeyJUQNOMBTYDLAOZ-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.04
Rot. Bonds

About 2,3,4-trihydroxycyclohex-2-en-1-one

2,3,4-trihydroxycyclohex-2-en-1-one (PubChem CID 141282739) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2,3,4-trihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2,3,4-trihydroxycyclohex-2-en-1-one
PubChem CID141282739
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2,3,4-trihydroxycyclohex-2-en-1-one
SMILESO=C1CCC(O)C(O)=C1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3,7,9-10H,1-2H2
InChIKeyJUQNOMBTYDLAOZ-UHFFFAOYSA-N
XLogP0.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3,4-trihydroxycyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxycyclohex-2-en-1-one?
The IUPAC name of 2,3,4-trihydroxycyclohex-2-en-1-one (CID 141282739) is 2,3,4-trihydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2,3,4-trihydroxycyclohex-2-en-1-one?
The canonical SMILES for 2,3,4-trihydroxycyclohex-2-en-1-one is O=C1CCC(O)C(O)=C1O.
What is the InChIKey of 2,3,4-trihydroxycyclohex-2-en-1-one?
The InChIKey is JUQNOMBTYDLAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3,7,9-10H,1-2H2.
What are the key properties of 2,3,4-trihydroxycyclohex-2-en-1-one?
2,3,4-trihydroxycyclohex-2-en-1-one has a molecular weight of 144.13 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 141282739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).