3-(2,6-dimethoxyphenyl)cyclopentan-1-one

C13H16O3 — CID 112705599

IUPAC3-(2,6-dimethoxyphenyl)cyclopentan-1-one
SMILESCOc1cccc(OC)c1C1CCC(=O)C1
InChIInChI=1S/C13H16O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,9H,6-8H2,1-2H3
InChIKeyHMJBPOXSHKSERY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.54
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)cyclopentan-1-one

3-(2,6-dimethoxyphenyl)cyclopentan-1-one (PubChem CID 112705599) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)cyclopentan-1-one
PubChem CID112705599
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-(2,6-dimethoxyphenyl)cyclopentan-1-one
SMILESCOc1cccc(OC)c1C1CCC(=O)C1
InChIInChI=1S/C13H16O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,9H,6-8H2,1-2H3
InChIKeyHMJBPOXSHKSERY-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)cyclopentan-1-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)cyclopentan-1-one (CID 112705599) is 3-(2,6-dimethoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)cyclopentan-1-one is COc1cccc(OC)c1C1CCC(=O)C1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)cyclopentan-1-one?
The InChIKey is HMJBPOXSHKSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-11-4-3-5-12(16-2)13(11)9-6-7-10(14)8-9/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)cyclopentan-1-one?
3-(2,6-dimethoxyphenyl)cyclopentan-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.54, 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)cyclopentan-1-one is sourced from PubChem (CID 112705599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).