5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one

C8H12O5 — CID 162815834

IUPAC5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(O)C(O)C1OC
InChIInChI=1S/C8H12O5/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3,6-8,10-11H,1-2H3
InChIKeyGSEPZJXCVYXWKJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.16
Rot. Bonds2

About 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one

5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one (PubChem CID 162815834) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one
PubChem CID162815834
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(O)C(O)C1OC
InChIInChI=1S/C8H12O5/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3,6-8,10-11H,1-2H3
InChIKeyGSEPZJXCVYXWKJ-UHFFFAOYSA-N
XLogP-1.16
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one?
The IUPAC name of 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one (CID 162815834) is 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one.
What is the SMILES notation for 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one?
The canonical SMILES for 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one is COC1=CC(=O)C(O)C(O)C1OC.
What is the InChIKey of 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one?
The InChIKey is GSEPZJXCVYXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3,6-8,10-11H,1-2H3.
What are the key properties of 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one?
5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one has a molecular weight of 188.18 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-3,4-dimethoxycyclohex-2-en-1-one is sourced from PubChem (CID 162815834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).