3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one

C13H14O3 — CID 116811052

IUPAC3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cccc(OC)c1C1=CC(=O)CC1
InChIInChI=1S/C13H14O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyAJPDRBUETGFKCF-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.45
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one

3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one (PubChem CID 116811052) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
PubChem CID116811052
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1cccc(OC)c1C1=CC(=O)CC1
InChIInChI=1S/C13H14O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyAJPDRBUETGFKCF-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene
CID 175946392
3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107383000
4-methoxy-3-methylideneinden-1-one
CID 14973064
2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene
CID 116811164
1,5-dimethoxyfluoren-9-one
CID 19594782
3-[4-hydroxy-1-(2-hydroxyethoxy)-8-methoxynaphthalen-2-yl]cyclopent-2-en-1-one
CID 177413306
(3aS,9bS)-6-methoxy-3a-methyl-5-methylidene-1,2,4,9b-tetrahydrocyclopenta[a]naphthalen-3-one
CID 10586260
6-methoxy-3,4-dihydro-2H-1-benzothiepin-5-one
CID 96615871
2-bromo-5-(2,6-dimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 135018935
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one (CID 116811052) is 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one is COc1cccc(OC)c1C1=CC(=O)CC1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is AJPDRBUETGFKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one?
3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 218.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 116811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).