2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid

C15H9ClFNO4 — CID 23217806

IUPAC2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid
SMILESN#Cc1c(F)cc(O)cc1OC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO4/c16-11-4-2-1-3-9(11)14(15(20)21)22-13-6-8(19)5-12(17)10(13)7-18/h1-6,14,19H,(H,20,21)
InChIKeyLOLHMZBYCDWWDQ-UHFFFAOYSA-N
MW321.69 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid

2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid (PubChem CID 23217806) has the molecular formula C15H9ClFNO4 and a molecular weight of 321.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid
PubChem CID23217806
Molecular FormulaC15H9ClFNO4
Molecular Weight321.69 g/mol
Exact Mass321.02
IUPAC Name2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid
SMILESN#Cc1c(F)cc(O)cc1OC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO4/c16-11-4-2-1-3-9(11)14(15(20)21)22-13-6-8(19)5-12(17)10(13)7-18/h1-6,14,19H,(H,20,21)
InChIKeyLOLHMZBYCDWWDQ-UHFFFAOYSA-N
XLogP3.26
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid (CID 23217806) is 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid is N#Cc1c(F)cc(O)cc1OC(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid?
The InChIKey is LOLHMZBYCDWWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO4/c16-11-4-2-1-3-9(11)14(15(20)21)22-13-6-8(19)5-12(17)10(13)7-18/h1-6,14,19H,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid?
2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid has a molecular weight of 321.69 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-cyano-3-fluoro-5-hydroxyphenoxy)acetic acid is sourced from PubChem (CID 23217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).