2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid

C14H8Cl4O2 — CID 134622761

IUPAC2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-7-4-11(17)14(12(18)5-7)8-2-1-3-10(16)9(8)6-13(19)20/h1-5H,6H2,(H,19,20)
InChIKeyLYMMQBZLVSEYEB-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.59
Rot. Bonds3

About 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid

2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid (PubChem CID 134622761) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
PubChem CID134622761
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-7-4-11(17)14(12(18)5-7)8-2-1-3-10(16)9(8)6-13(19)20/h1-5H,6H2,(H,19,20)
InChIKeyLYMMQBZLVSEYEB-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

Analyze 2-[2-chloro-6-(2,4,6-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

1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
CID 134617206
2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088007
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-chloro-6-(2,4,6-trichlorophenyl)benzamide
CID 134622766
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622770
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid (CID 134622761) is 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid is O=C(O)Cc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid?
The InChIKey is LYMMQBZLVSEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-7-4-11(17)14(12(18)5-7)8-2-1-3-10(16)9(8)6-13(19)20/h1-5H,6H2,(H,19,20).
What are the key properties of 2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid?
2-[2-chloro-6-(2,4,6-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-6-(2,4,6-trichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 134622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).