5-hydroxy-4-methoxycyclopent-2-en-1-one

C6H8O3 — CID 14434980

IUPAC5-hydroxy-4-methoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1O
InChIInChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3
InChIKeyIRKONCXNHGPFPK-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.50
Rot. Bonds1

About 5-hydroxy-4-methoxycyclopent-2-en-1-one

5-hydroxy-4-methoxycyclopent-2-en-1-one (PubChem CID 14434980) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-hydroxy-4-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxycyclopent-2-en-1-one
PubChem CID14434980
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name5-hydroxy-4-methoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1O
InChIInChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3
InChIKeyIRKONCXNHGPFPK-UHFFFAOYSA-N
XLogP-0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-4-methoxycyclopent-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

Related Compounds

(4S,5R)-4-tert-butoxy-5-hydroxy-2-cyclopenten-1-one
CID 14434987
2-Cyclopenten-1-one, 4,5-dihydroxy-
CID 10197660
trans-4,5-Dihydr-oxy-2-cyclopenten-1-one
CID 57503889
trans-4,5-Dihydroxy-2-cyclopenten-1-one
CID 59934929
ethyl (E,4S,5R)-4,5-dihydroxy-6-oxohept-2-enoate
CID 92039258
(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
CID 14434981
Fibpykpqjarqjl-uwvggrqhsa-
CID 14434984
5-Hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 4275358
(4S,5S)-4,5-dihydroxycyclopent-2-en-1-one
CID 10931401
5-Ethoxy-4-hydroxycyclopent-2-en-1-one
CID 14597325
(5-Acetyloxy-4-oxocyclopent-2-en-1-yl) acetate;methanol
CID 17924329
4,5-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 17924339

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxycyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-4-methoxycyclopent-2-en-1-one (CID 14434980) is 5-hydroxy-4-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-4-methoxycyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-4-methoxycyclopent-2-en-1-one is COC1C=CC(=O)C1O.
What is the InChIKey of 5-hydroxy-4-methoxycyclopent-2-en-1-one?
The InChIKey is IRKONCXNHGPFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3.
What are the key properties of 5-hydroxy-4-methoxycyclopent-2-en-1-one?
5-hydroxy-4-methoxycyclopent-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 14434980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).