1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one

C15H19FO2 — CID 115800128

IUPAC1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2CCCC2)c1F
InChIInChI=1S/C15H19FO2/c1-18-14-8-4-7-12(15(14)16)10-13(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyJHJGDUYQYYVLBW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.53
Rot. Bonds5

About 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one

1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one (PubChem CID 115800128) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
PubChem CID115800128
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2CCCC2)c1F
InChIInChI=1S/C15H19FO2/c1-18-14-8-4-7-12(15(14)16)10-13(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyJHJGDUYQYYVLBW-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
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
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one (CID 115800128) is 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)CC2CCCC2)c1F.
What is the InChIKey of 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The InChIKey is JHJGDUYQYYVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-18-14-8-4-7-12(15(14)16)10-13(17)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one has a molecular weight of 250.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 115800128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).