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

C14H8Cl4O2 — CID 134630533

IUPAC2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H8Cl4O2/c15-8-5-9(14(18)11(17)6-8)13-7(4-12(19)20)2-1-3-10(13)16/h1-3,5-6H,4H2,(H,19,20)
InChIKeyJPNCIJRQROQDMM-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.59
Rot. Bonds3

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

2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid (PubChem CID 134630533) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
PubChem CID134630533
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Name2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H8Cl4O2/c15-8-5-9(14(18)11(17)6-8)13-7(4-12(19)20)2-1-3-10(13)16/h1-3,5-6H,4H2,(H,19,20)
InChIKeyJPNCIJRQROQDMM-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_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
3-chloro-2-(2,3,5-trichlorophenyl)aniline
CID 119002694
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-[6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridin-3-yl]acetic acid
CID 133092620
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid (CID 134630533) is 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid is O=C(O)Cc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid?
The InChIKey is JPNCIJRQROQDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-8-5-9(14(18)11(17)6-8)13-7(4-12(19)20)2-1-3-10(13)16/h1-3,5-6H,4H2,(H,19,20).
What are the key properties of 2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid?
2-[3-chloro-2-(2,3,5-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-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 134630533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).