4-(3,5-dichlorobenzoyl)oxybenzoic acid

C14H8Cl2O4 — CID 54854175

IUPAC4-(3,5-dichlorobenzoyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H8Cl2O4/c15-10-5-9(6-11(16)7-10)14(19)20-12-3-1-8(2-4-12)13(17)18/h1-7H,(H,17,18)
InChIKeyALOUNEYKJZMKTB-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.91
Rot. Bonds3

About 4-(3,5-dichlorobenzoyl)oxybenzoic acid

4-(3,5-dichlorobenzoyl)oxybenzoic acid (PubChem CID 54854175) has the molecular formula C14H8Cl2O4 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-(3,5-dichlorobenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(3,5-dichlorobenzoyl)oxybenzoic acid
PubChem CID54854175
Molecular FormulaC14H8Cl2O4
Molecular Weight311.12 g/mol
Exact Mass309.98
IUPAC Name4-(3,5-dichlorobenzoyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H8Cl2O4/c15-10-5-9(6-11(16)7-10)14(19)20-12-3-1-8(2-4-12)13(17)18/h1-7H,(H,17,18)
InChIKeyALOUNEYKJZMKTB-UHFFFAOYSA-N
XLogP3.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.91
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

(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
4-[4-(hydroxymethyl)benzoyl]oxybenzoic acid
CID 89257139
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
4-(5-chloro-1H-indole-2-carbonyl)oxybenzoic acid
CID 71564543
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorobenzoyl)oxybenzoic acid?
The IUPAC name of 4-(3,5-dichlorobenzoyl)oxybenzoic acid (CID 54854175) is 4-(3,5-dichlorobenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-(3,5-dichlorobenzoyl)oxybenzoic acid?
The canonical SMILES for 4-(3,5-dichlorobenzoyl)oxybenzoic acid is O=C(O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichlorobenzoyl)oxybenzoic acid?
The InChIKey is ALOUNEYKJZMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O4/c15-10-5-9(6-11(16)7-10)14(19)20-12-3-1-8(2-4-12)13(17)18/h1-7H,(H,17,18).
What are the key properties of 4-(3,5-dichlorobenzoyl)oxybenzoic acid?
4-(3,5-dichlorobenzoyl)oxybenzoic acid has a molecular weight of 311.12 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorobenzoyl)oxybenzoic acid is sourced from PubChem (CID 54854175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).