4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one

C7H10O3 — CID 4083064

IUPAC4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(=O)CC1O
InChIInChI=1S/C7H10O3/c1-4-5(8)3-6(9)7(4)10-2/h6,9H,3H2,1-2H3
InChIKeyCPTFQWPRAWNXIE-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one

4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one (PubChem CID 4083064) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one
PubChem CID4083064
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(=O)CC1O
InChIInChI=1S/C7H10O3/c1-4-5(8)3-6(9)7(4)10-2/h6,9H,3H2,1-2H3
InChIKeyCPTFQWPRAWNXIE-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxy-3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one
CID 58913849
(4R,6S,6aS)-6-hydroxy-4-methoxy-3-methyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 130762444
(3S)-3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
CID 169491606
(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione
CID 170010759
4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
CID 15103017
2-methoxy-4-sulfanylcyclopent-2-en-1-one
CID 18736371
5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 534047
3-methoxy-2,4,6-trimethylcyclohex-2-en-1-one
CID 581132
2-methoxy-5-methylcyclohexa-2,4-dien-1-ol
CID 67561399
(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
CID 162895840
4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one
CID 102415199
dimethyl (3aZ,9Z)-4,9-dimethyl-8-oxo-6-phenyl-3,5,6,7-tetrahydro-1H-cyclopenta[8]annulene-2,2-dicarboxylate
CID 101396220

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one (CID 4083064) is 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one is COC1=C(C)C(=O)CC1O.
What is the InChIKey of 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one?
The InChIKey is CPTFQWPRAWNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(8)3-6(9)7(4)10-2/h6,9H,3H2,1-2H3.
What are the key properties of 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one?
4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 4083064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).