[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C21H21FO4 — CID 8661519

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1
InChIInChI=1S/C21H21FO4/c1-25-16-10-8-15(9-11-16)19(23)14-26-20(24)21(12-4-5-13-21)17-6-2-3-7-18(17)22/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyLZQYNOLIQZBKTP-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.07
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8661519) has the molecular formula C21H21FO4 and a molecular weight of 356.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8661519
Molecular FormulaC21H21FO4
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1
InChIInChI=1S/C21H21FO4/c1-25-16-10-8-15(9-11-16)19(23)14-26-20(24)21(12-4-5-13-21)17-6-2-3-7-18(17)22/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyLZQYNOLIQZBKTP-UHFFFAOYSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2432149
[2-(2-bromophenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23853345
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661449
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-(1H-indol-3-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526118
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2379090
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23932612

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 8661519) is [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is LZQYNOLIQZBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FO4/c1-25-16-10-8-15(9-11-16)19(23)14-26-20(24)21(12-4-5-13-21)17-6-2-3-7-18(17)22/h2-3,6-11H,4-5,12-14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8661519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).