4,5-dihydroxycyclohex-2-en-1-one

C6H8O3 — CID 22245248

IUPAC4,5-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=CC(O)C(O)C1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2
InChIKeyIUPXGIBMDGSUMS-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.76
Rot. Bonds

About 4,5-dihydroxycyclohex-2-en-1-one

4,5-dihydroxycyclohex-2-en-1-one (PubChem CID 22245248) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4,5-dihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4,5-dihydroxycyclohex-2-en-1-one
PubChem CID22245248
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4,5-dihydroxycyclohex-2-en-1-one
SMILESO=C1C=CC(O)C(O)C1
InChIInChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2
InChIKeyIUPXGIBMDGSUMS-UHFFFAOYSA-N
XLogP-0.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R,6R)-4,5-dihydroxy-6-(6'-methylsalicyloxy)-2-methyl-2-cyclohexen-1-one
CID 118714759
4-Hydroxy-2-cyclohexenone
CID 558502
(4s,5s)-4,5-Dihydroxy-2-methylcyclohex-2-enone
CID 70677551
4,5-Dihydroxy-3-methyl-cyclohex-2-enone
CID 102455620
(4S)-4-hydroxycyclohex-2-en-1-one
CID 10996987
(4R,5R,6R)-6-fluoro-4,5-dihydroxy-3-methylcyclohex-2-en-1-one
CID 60171505
4,5-Dihydroxy-3-methylcyclohex-2-enone
CID 91301326
2-Cyclohexen-3,6-diol-1-one
CID 10942433
(R)-4-Hydroxycyclohex-2-enone
CID 11116017
4-Hydroxycyclohexen-2-one
CID 53678703
(4S,5R,6S)-4,5,6-trihydroxy-2-cyclohexene-1-one
CID 44511908
1-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]ethanone
CID 45086002

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxycyclohex-2-en-1-one?
The IUPAC name of 4,5-dihydroxycyclohex-2-en-1-one (CID 22245248) is 4,5-dihydroxycyclohex-2-en-1-one.
What is the SMILES notation for 4,5-dihydroxycyclohex-2-en-1-one?
The canonical SMILES for 4,5-dihydroxycyclohex-2-en-1-one is O=C1C=CC(O)C(O)C1.
What is the InChIKey of 4,5-dihydroxycyclohex-2-en-1-one?
The InChIKey is IUPXGIBMDGSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-1-2-5(8)6(9)3-4/h1-2,5-6,8-9H,3H2.
What are the key properties of 4,5-dihydroxycyclohex-2-en-1-one?
4,5-dihydroxycyclohex-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 22245248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).