2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid

C16H19FO3 — CID 146004474

IUPAC2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(F)ccc1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H19FO3/c1-11-8-12(17)4-5-13(11)14(18)9-16(10-15(19)20)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeySMGRIKXSIDVRKW-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.74
Rot. Bonds5

About 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 146004474) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID146004474
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(F)ccc1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H19FO3/c1-11-8-12(17)4-5-13(11)14(18)9-16(10-15(19)20)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeySMGRIKXSIDVRKW-UHFFFAOYSA-N
XLogP3.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
2-[1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004327
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid (CID 146004474) is 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid is Cc1cc(F)ccc1C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SMGRIKXSIDVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-11-8-12(17)4-5-13(11)14(18)9-16(10-15(19)20)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 278.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 146004474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).