2-(3-chloro-5-fluorophenoxy)benzoic acid

C13H8ClFO3 — CID 91575337

IUPAC2-(3-chloro-5-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H8ClFO3/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyNNPUPKOKPHATNT-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.97
Rot. Bonds3

About 2-(3-chloro-5-fluorophenoxy)benzoic acid

2-(3-chloro-5-fluorophenoxy)benzoic acid (PubChem CID 91575337) has the molecular formula C13H8ClFO3 and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenoxy)benzoic acid
PubChem CID91575337
Molecular FormulaC13H8ClFO3
Molecular Weight266.66 g/mol
Exact Mass266.01
IUPAC Name2-(3-chloro-5-fluorophenoxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H8ClFO3/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H,16,17)
InChIKeyNNPUPKOKPHATNT-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
CID 62785009
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
4-chloro-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 61396053
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenoxy)benzoic acid?
The IUPAC name of 2-(3-chloro-5-fluorophenoxy)benzoic acid (CID 91575337) is 2-(3-chloro-5-fluorophenoxy)benzoic acid.
What is the SMILES notation for 2-(3-chloro-5-fluorophenoxy)benzoic acid?
The canonical SMILES for 2-(3-chloro-5-fluorophenoxy)benzoic acid is O=C(O)c1ccccc1Oc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenoxy)benzoic acid?
The InChIKey is NNPUPKOKPHATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO3/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(3-chloro-5-fluorophenoxy)benzoic acid?
2-(3-chloro-5-fluorophenoxy)benzoic acid has a molecular weight of 266.66 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenoxy)benzoic acid is sourced from PubChem (CID 91575337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).