[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C22H23FO5 — CID 2432149

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1
InChIInChI=1S/C22H23FO5/c1-26-15-9-10-20(27-2)16(13-15)19(24)14-28-21(25)22(11-5-6-12-22)17-7-3-4-8-18(17)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3
InChIKeyDDGSOBCZOMRYFJ-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.08
Rot. Bonds7

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2432149) has the molecular formula C22H23FO5 and a molecular weight of 386.42 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2432149
Molecular FormulaC22H23FO5
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1
InChIInChI=1S/C22H23FO5/c1-26-15-9-10-20(27-2)16(13-15)19(24)14-28-21(25)22(11-5-6-12-22)17-7-3-4-8-18(17)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3
InChIKeyDDGSOBCZOMRYFJ-UHFFFAOYSA-N
XLogP4.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,5-dimethoxyphenyl)-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-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661519
[2-(2-bromophenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23853345
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(1H-indol-3-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526118
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2432149) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(OC)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DDGSOBCZOMRYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FO5/c1-26-15-9-10-20(27-2)16(13-15)19(24)14-28-21(25)22(11-5-6-12-22)17-7-3-4-8-18(17)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 386.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2432149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).