2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid

C14H8Cl4O3 — CID 134633847

IUPAC2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl4O3/c15-8-2-1-6(5-7(8)13(19)14(20)21)11-9(16)3-4-10(17)12(11)18/h1-5,13,19H,(H,20,21)
InChIKeyCEWKRRZRTMPAMQ-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.09
Rot. Bonds3

About 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid

2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134633847) has the molecular formula C14H8Cl4O3 and a molecular weight of 366.03 g/mol. Its IUPAC name is 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
PubChem CID134633847
Molecular FormulaC14H8Cl4O3
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl4O3/c15-8-2-1-6(5-7(8)13(19)14(20)21)11-9(16)3-4-10(17)12(11)18/h1-5,13,19H,(H,20,21)
InChIKeyCEWKRRZRTMPAMQ-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'}

Analyze 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic 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-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
1,2,4-trichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 134622495
(2S)-2-(2-chloro-5-nitrophenyl)-2-hydroxyacetic acid
CID 131292262
2-[2-(3,4-dichlorophenyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 134633823
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-[5-(3-bromo-2-oxopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
CID 134656010
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid (CID 134633847) is 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is CEWKRRZRTMPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O3/c15-8-2-1-6(5-7(8)13(19)14(20)21)11-9(16)3-4-10(17)12(11)18/h1-5,13,19H,(H,20,21).
What are the key properties of 2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid?
2-[2-chloro-5-(2,3,6-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-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134633847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).