2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

C15H10ClF3O4 — CID 58333696

IUPAC2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(O)cc1Cl
InChIInChI=1S/C15H10ClF3O4/c16-12-6-9(20)2-3-10(12)11-5-8(15(17,18)19)1-4-13(11)23-7-14(21)22/h1-6,20H,7H2,(H,21,22)
InChIKeyGIMXNRWYMAQJKM-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.19
Rot. Bonds4

About 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 58333696) has the molecular formula C15H10ClF3O4 and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID58333696
Molecular FormulaC15H10ClF3O4
Molecular Weight346.69 g/mol
Exact Mass346.02
IUPAC Name2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(O)cc1Cl
InChIInChI=1S/C15H10ClF3O4/c16-12-6-9(20)2-3-10(12)11-5-8(15(17,18)19)1-4-13(11)23-7-14(21)22/h1-6,20H,7H2,(H,21,22)
InChIKeyGIMXNRWYMAQJKM-UHFFFAOYSA-N
XLogP4.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (CID 58333696) is 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(O)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is GIMXNRWYMAQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O4/c16-12-6-9(20)2-3-10(12)11-5-8(15(17,18)19)1-4-13(11)23-7-14(21)22/h1-6,20H,7H2,(H,21,22).
What are the key properties of 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 346.69 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 58333696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).