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

C14H8Cl4O3 — CID 134633869

IUPAC2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O3/c15-6-1-2-7(13(19)14(20)21)8(3-6)9-4-11(17)12(18)5-10(9)16/h1-5,13,19H,(H,20,21)
InChIKeyMQWMKLVISGTMBW-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.09
Rot. Bonds3

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

2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134633869) has the molecular formula C14H8Cl4O3 and a molecular weight of 366.03 g/mol. Its IUPAC name is 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
PubChem CID134633869
Molecular FormulaC14H8Cl4O3
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O3/c15-6-1-2-7(13(19)14(20)21)8(3-6)9-4-11(17)12(18)5-10(9)16/h1-5,13,19H,(H,20,21)
InChIKeyMQWMKLVISGTMBW-UHFFFAOYSA-N
XLogP5.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
2-[5-chloro-2-(2,3,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633845
2-[2-chloro-6-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633815
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656015
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010
2-[5-chloro-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656021
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-[4-chloro-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656362
2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid (CID 134633869) is 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is MQWMKLVISGTMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O3/c15-6-1-2-7(13(19)14(20)21)8(3-6)9-4-11(17)12(18)5-10(9)16/h1-5,13,19H,(H,20,21).
What are the key properties of 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 366.03 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134633869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).