2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone

C15H19FO3 — CID 66323732

IUPAC2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCC1CCCC1
InChIInChI=1S/C15H19FO3/c1-18-15-7-6-12(16)8-13(15)14(17)10-19-9-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyPRFXNQLDRIHVAL-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.22
Rot. Bonds6

About 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 66323732) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID66323732
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCC1CCCC1
InChIInChI=1S/C15H19FO3/c1-18-15-7-6-12(16)8-13(15)14(17)10-19-9-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3
InChIKeyPRFXNQLDRIHVAL-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43798165
2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
CID 62383925
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 66323732) is 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)COCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is PRFXNQLDRIHVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-18-15-7-6-12(16)8-13(15)14(17)10-19-9-11-4-2-3-5-11/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 266.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 66323732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).