(2-chlorophenyl) 5-chloro-2-hydroxybenzoate

C13H8Cl2O3 — CID 71318938

IUPAC(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-6-11(16)9(7-8)13(17)18-12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyQQXRSLRYNPEQEF-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.92
Rot. Bonds2

About (2-chlorophenyl) 5-chloro-2-hydroxybenzoate

(2-chlorophenyl) 5-chloro-2-hydroxybenzoate (PubChem CID 71318938) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is (2-chlorophenyl) 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
PubChem CID71318938
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-6-11(16)9(7-8)13(17)18-12-4-2-1-3-10(12)15/h1-7,16H
InChIKeyQQXRSLRYNPEQEF-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-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
[2-(hydrazinecarbonyl)-5-hydroxyphenyl] 5-chloro-2-hydroxybenzoate
CID 91483770
bis(2-chlorophenyl) 2-phenylbenzene-1,4-dicarboxylate
CID 70542824
(2,4,6-trichlorophenyl) 2-hydroxybenzoate
CID 23297410
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid
CID 19001066
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 5-chloro-2-hydroxybenzoate?
The IUPAC name of (2-chlorophenyl) 5-chloro-2-hydroxybenzoate (CID 71318938) is (2-chlorophenyl) 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for (2-chlorophenyl) 5-chloro-2-hydroxybenzoate?
The canonical SMILES for (2-chlorophenyl) 5-chloro-2-hydroxybenzoate is O=C(Oc1ccccc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of (2-chlorophenyl) 5-chloro-2-hydroxybenzoate?
The InChIKey is QQXRSLRYNPEQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-8-5-6-11(16)9(7-8)13(17)18-12-4-2-1-3-10(12)15/h1-7,16H.
What are the key properties of (2-chlorophenyl) 5-chloro-2-hydroxybenzoate?
(2-chlorophenyl) 5-chloro-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-chlorophenyl) 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 71318938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).