2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid

C14H9ClO5 — CID 54253001

IUPAC2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
SMILESO=C(Oc1ccccc1C(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClO5/c15-8-5-6-11(16)10(7-8)14(19)20-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyQYBPEQZGLFBIHC-UHFFFAOYSA-N
MW292.67 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid

2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid (PubChem CID 54253001) has the molecular formula C14H9ClO5 and a molecular weight of 292.67 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
PubChem CID54253001
Molecular FormulaC14H9ClO5
Molecular Weight292.67 g/mol
Exact Mass292.01
IUPAC Name2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
SMILESO=C(Oc1ccccc1C(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClO5/c15-8-5-6-11(16)10(7-8)14(19)20-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyQYBPEQZGLFBIHC-UHFFFAOYSA-N
XLogP2.96
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dichlorophenyl) 2-hydroxybenzoate
CID 520433
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxy-4-oxobutanoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoic acid
CID 174418504
CID 67784559
CID 67784559
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
2-[2-[2-[2-(2-hydroxybenzoyl)oxyphenyl]acetyl]oxybenzoyl]oxybenzoic acid
CID 123849287
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid?
The IUPAC name of 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid (CID 54253001) is 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid is O=C(Oc1ccccc1C(=O)O)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid?
The InChIKey is QYBPEQZGLFBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO5/c15-8-5-6-11(16)10(7-8)14(19)20-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid?
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid has a molecular weight of 292.67 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 54253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).