2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone

C18H25FO2 — CID 114966156

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
SMILESCOc1ccc(CC(=O)C2(CC(C)C)CCCC2)cc1F
InChIInChI=1S/C18H25FO2/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3
InChIKeyJDMHYPBEOHSGNJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.55
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone

2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone (PubChem CID 114966156) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
PubChem CID114966156
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
SMILESCOc1ccc(CC(=O)C2(CC(C)C)CCCC2)cc1F
InChIInChI=1S/C18H25FO2/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3
InChIKeyJDMHYPBEOHSGNJ-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone (CID 114966156) is 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone is COc1ccc(CC(=O)C2(CC(C)C)CCCC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The InChIKey is JDMHYPBEOHSGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone has a molecular weight of 292.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone is sourced from PubChem (CID 114966156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).