2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid

C14H8Cl4O2 — CID 118829634

IUPAC2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-10-3-1-7(5-8(10)6-12(19)20)9-2-4-11(16)14(18)13(9)17/h1-5H,6H2,(H,19,20)
InChIKeyLINVLHVMLQTGKL-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.59
Rot. Bonds3

About 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid

2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid (PubChem CID 118829634) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
PubChem CID118829634
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-10-3-1-7(5-8(10)6-12(19)20)9-2-4-11(16)14(18)13(9)17/h1-5H,6H2,(H,19,20)
InChIKeyLINVLHVMLQTGKL-UHFFFAOYSA-N
XLogP5.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]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-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
2-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 118999815
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
CID 174356728
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid (CID 118829634) is 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid is O=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid?
The InChIKey is LINVLHVMLQTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-10-3-1-7(5-8(10)6-12(19)20)9-2-4-11(16)14(18)13(9)17/h1-5H,6H2,(H,19,20).
What are the key properties of 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid?
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid has a molecular weight of 350.03 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 118829634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).