(2,4-dichlorophenyl) 2-hydroxybenzoate

C13H8Cl2O3 — CID 520433

IUPAC(2,4-dichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-6-12(10(15)7-8)18-13(17)9-3-1-2-4-11(9)16/h1-7,16H
InChIKeyQHZASEYQTUBNIA-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.92
Rot. Bonds2

About (2,4-dichlorophenyl) 2-hydroxybenzoate

(2,4-dichlorophenyl) 2-hydroxybenzoate (PubChem CID 520433) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 2-hydroxybenzoate
PubChem CID520433
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name(2,4-dichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-6-12(10(15)7-8)18-13(17)9-3-1-2-4-11(9)16/h1-7,16H
InChIKeyQHZASEYQTUBNIA-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
(2,4,6-trichlorophenyl) 2-hydroxybenzoate
CID 23297410
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(3,5-dichlorophenyl) 2-hydroxybenzoate
CID 157309463
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
(4-bromo-2-chlorophenyl) 2-fluorobenzoate
CID 23011823
bis(2,4,6-trichlorophenyl) benzene-1,2-dicarboxylate
CID 54423741
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 2-hydroxybenzoate?
The IUPAC name of (2,4-dichlorophenyl) 2-hydroxybenzoate (CID 520433) is (2,4-dichlorophenyl) 2-hydroxybenzoate.
What is the SMILES notation for (2,4-dichlorophenyl) 2-hydroxybenzoate?
The canonical SMILES for (2,4-dichlorophenyl) 2-hydroxybenzoate is O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of (2,4-dichlorophenyl) 2-hydroxybenzoate?
The InChIKey is QHZASEYQTUBNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-8-5-6-12(10(15)7-8)18-13(17)9-3-1-2-4-11(9)16/h1-7,16H.
What are the key properties of (2,4-dichlorophenyl) 2-hydroxybenzoate?
(2,4-dichlorophenyl) 2-hydroxybenzoate has a molecular weight of 283.11 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 2-hydroxybenzoate is sourced from PubChem (CID 520433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).