4-chloro-2-(2,3-difluorophenoxy)benzoic acid

C13H7ClF2O3 — CID 63082872

IUPAC4-chloro-2-(2,3-difluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H7ClF2O3/c14-7-4-5-8(13(17)18)11(6-7)19-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,18)
InChIKeyDIWPHXGPGAWLGW-UHFFFAOYSA-N
MW284.65 g/mol
LogP4.11
Rot. Bonds3

About 4-chloro-2-(2,3-difluorophenoxy)benzoic acid

4-chloro-2-(2,3-difluorophenoxy)benzoic acid (PubChem CID 63082872) has the molecular formula C13H7ClF2O3 and a molecular weight of 284.65 g/mol. Its IUPAC name is 4-chloro-2-(2,3-difluorophenoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2,3-difluorophenoxy)benzoic acid
PubChem CID63082872
Molecular FormulaC13H7ClF2O3
Molecular Weight284.65 g/mol
Exact Mass284.01
IUPAC Name4-chloro-2-(2,3-difluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H7ClF2O3/c14-7-4-5-8(13(17)18)11(6-7)19-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,18)
InChIKeyDIWPHXGPGAWLGW-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321
4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107660000
2-bromo-4-(2-bromo-4-chlorophenoxy)-3-fluorobenzoic acid
CID 107540645
4-[(1S)-1-[[5-chloro-2-(2,3-difluorophenoxy)benzoyl]amino]ethyl]benzoic acid
CID 11510286
4-chloro-2-(4-iodophenoxy)benzoic acid
CID 63514896
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-difluorophenoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(2,3-difluorophenoxy)benzoic acid (CID 63082872) is 4-chloro-2-(2,3-difluorophenoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2,3-difluorophenoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(2,3-difluorophenoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1Oc1cccc(F)c1F.
What is the InChIKey of 4-chloro-2-(2,3-difluorophenoxy)benzoic acid?
The InChIKey is DIWPHXGPGAWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O3/c14-7-4-5-8(13(17)18)11(6-7)19-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,18).
What are the key properties of 4-chloro-2-(2,3-difluorophenoxy)benzoic acid?
4-chloro-2-(2,3-difluorophenoxy)benzoic acid has a molecular weight of 284.65 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-difluorophenoxy)benzoic acid is sourced from PubChem (CID 63082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).