3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one

C13H15FO2 — CID 82811035

IUPAC3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cccc(C2CCC(=O)C2C)c1F
InChIInChI=1S/C13H15FO2/c1-8-9(6-7-11(8)15)10-4-3-5-12(16-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyUTUPQSNHCUSSGH-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.92
Rot. Bonds2

About 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one

3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one (PubChem CID 82811035) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
PubChem CID82811035
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cccc(C2CCC(=O)C2C)c1F
InChIInChI=1S/C13H15FO2/c1-8-9(6-7-11(8)15)10-4-3-5-12(16-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyUTUPQSNHCUSSGH-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one (CID 82811035) is 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one is COc1cccc(C2CCC(=O)C2C)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one?
The InChIKey is UTUPQSNHCUSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-9(6-7-11(8)15)10-4-3-5-12(16-2)13(10)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one?
3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one has a molecular weight of 222.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 82811035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).