2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid

C13H8ClFO3 — CID 53225722

IUPAC2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)ccc2O)cc1Cl
InChIInChI=1S/C13H8ClFO3/c14-11-5-7(1-3-9(11)13(17)18)10-6-8(15)2-4-12(10)16/h1-6,16H,(H,17,18)
InChIKeySOTMYIMIRANSEI-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid

2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid (PubChem CID 53225722) has the molecular formula C13H8ClFO3 and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
PubChem CID53225722
Molecular FormulaC13H8ClFO3
Molecular Weight266.66 g/mol
Exact Mass266.01
IUPAC Name2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)ccc2O)cc1Cl
InChIInChI=1S/C13H8ClFO3/c14-11-5-7(1-3-9(11)13(17)18)10-6-8(15)2-4-12(10)16/h1-6,16H,(H,17,18)
InChIKeySOTMYIMIRANSEI-UHFFFAOYSA-N
XLogP3.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
2-chloro-4-(2,4-difluorophenyl)benzoate
CID 86307272
2-chloro-4-phenylbenzoic acid
CID 21487426
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid (CID 53225722) is 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid is O=C(O)c1ccc(-c2cc(F)ccc2O)cc1Cl.
What is the InChIKey of 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid?
The InChIKey is SOTMYIMIRANSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO3/c14-11-5-7(1-3-9(11)13(17)18)10-6-8(15)2-4-12(10)16/h1-6,16H,(H,17,18).
What are the key properties of 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid?
2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid has a molecular weight of 266.66 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 53225722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).