2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid

C15H15Cl3O3 — CID 105349518

IUPAC2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)c2c(Cl)cc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H15Cl3O3/c16-9-5-10(17)14(11(18)6-9)12(19)7-15(8-13(20)21)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,20,21)
InChIKeyGAOIRQVFPZQVDN-UHFFFAOYSA-N
MW349.64 g/mol
LogP5.25
Rot. Bonds5

About 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid (PubChem CID 105349518) has the molecular formula C15H15Cl3O3 and a molecular weight of 349.64 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
PubChem CID105349518
Molecular FormulaC15H15Cl3O3
Molecular Weight349.64 g/mol
Exact Mass348.01
IUPAC Name2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)c2c(Cl)cc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H15Cl3O3/c16-9-5-10(17)14(11(18)6-9)12(19)7-15(8-13(20)21)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,20,21)
InChIKeyGAOIRQVFPZQVDN-UHFFFAOYSA-N
XLogP5.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.64
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid 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-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 80530829
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
2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 61270248
2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164357
2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid
CID 31617015
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
CID 80532221
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid (CID 105349518) is 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)c2c(Cl)cc(Cl)cc2Cl)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid?
The InChIKey is GAOIRQVFPZQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3O3/c16-9-5-10(17)14(11(18)6-9)12(19)7-15(8-13(20)21)3-1-2-4-15/h5-6H,1-4,7-8H2,(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid has a molecular weight of 349.64 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 105349518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).