2,3,5-trichloro-4-hydroxybenzoic acid

C7H3Cl3O3 — CID 23600077

IUPAC2,3,5-trichloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O3/c8-3-1-2(7(12)13)4(9)5(10)6(3)11/h1,11H,(H,12,13)
InChIKeyQUDONURKRLTOHR-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.05
Rot. Bonds1

About 2,3,5-trichloro-4-hydroxybenzoic acid

2,3,5-trichloro-4-hydroxybenzoic acid (PubChem CID 23600077) has the molecular formula C7H3Cl3O3 and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,3,5-trichloro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3,5-trichloro-4-hydroxybenzoic acid
PubChem CID23600077
Molecular FormulaC7H3Cl3O3
Molecular Weight241.46 g/mol
Exact Mass239.91
IUPAC Name2,3,5-trichloro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O3/c8-3-1-2(7(12)13)4(9)5(10)6(3)11/h1,11H,(H,12,13)
InChIKeyQUDONURKRLTOHR-UHFFFAOYSA-N
XLogP3.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 53.05
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

5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
CID 161415346
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2,4,5-trichloro-3-fluorobenzoic acid
CID 23173056
2,3,4,6-tetrachlorophenol
CID 6028
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
3,5-dichloro-2-iodylterephthalic acid
CID 23357553
2,3,4,5,6-pentachlorophenol;2,3,4,6-tetrachlorophenol
CID 158166722
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-4-hydroxybenzoic acid?
The IUPAC name of 2,3,5-trichloro-4-hydroxybenzoic acid (CID 23600077) is 2,3,5-trichloro-4-hydroxybenzoic acid.
What is the SMILES notation for 2,3,5-trichloro-4-hydroxybenzoic acid?
The canonical SMILES for 2,3,5-trichloro-4-hydroxybenzoic acid is O=C(O)c1cc(Cl)c(O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-4-hydroxybenzoic acid?
The InChIKey is QUDONURKRLTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O3/c8-3-1-2(7(12)13)4(9)5(10)6(3)11/h1,11H,(H,12,13).
What are the key properties of 2,3,5-trichloro-4-hydroxybenzoic acid?
2,3,5-trichloro-4-hydroxybenzoic acid has a molecular weight of 241.46 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4-hydroxybenzoic acid is sourced from PubChem (CID 23600077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).