4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one

C16H21FO2 — CID 115800308

IUPAC4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
SMILESCOc1cccc(CC(=O)CCC2CCCC2)c1F
InChIInChI=1S/C16H21FO2/c1-19-15-8-4-7-13(16(15)17)11-14(18)10-9-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3
InChIKeyJBPPVMJWQAUXJT-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.92
Rot. Bonds6

About 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one

4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one (PubChem CID 115800308) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
PubChem CID115800308
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
SMILESCOc1cccc(CC(=O)CCC2CCCC2)c1F
InChIInChI=1S/C16H21FO2/c1-19-15-8-4-7-13(16(15)17)11-14(18)10-9-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3
InChIKeyJBPPVMJWQAUXJT-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
5-amino-1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-2-one
CID 116571457
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The IUPAC name of 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one (CID 115800308) is 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one.
What is the SMILES notation for 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The canonical SMILES for 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one is COc1cccc(CC(=O)CCC2CCCC2)c1F.
What is the InChIKey of 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
The InChIKey is JBPPVMJWQAUXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-19-15-8-4-7-13(16(15)17)11-14(18)10-9-12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3.
What are the key properties of 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one?
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one has a molecular weight of 264.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one is sourced from PubChem (CID 115800308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).