4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid

C14H8ClF3O4 — CID 14554243

IUPAC4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1O
InChIInChI=1S/C14H8ClF3O4/c15-10-5-7(14(16,17)18)1-4-12(10)22-8-2-3-9(13(20)21)11(19)6-8/h1-6,19H,(H,20,21)
InChIKeyZNXUWMIFNOERPT-UHFFFAOYSA-N
MW332.66 g/mol
LogP4.55
Rot. Bonds3

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

4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid (PubChem CID 14554243) has the molecular formula C14H8ClF3O4 and a molecular weight of 332.66 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
PubChem CID14554243
Molecular FormulaC14H8ClF3O4
Molecular Weight332.66 g/mol
Exact Mass332.01
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1O
InChIInChI=1S/C14H8ClF3O4/c15-10-5-7(14(16,17)18)1-4-12(10)22-8-2-3-9(13(20)21)11(19)6-8/h1-6,19H,(H,20,21)
InChIKeyZNXUWMIFNOERPT-UHFFFAOYSA-N
XLogP4.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.66
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 23355677
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;N-methylmethanamine
CID 12960256
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 90257110
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
CID 19828951
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 87743733
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid (CID 14554243) is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid is O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1O.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid?
The InChIKey is ZNXUWMIFNOERPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O4/c15-10-5-7(14(16,17)18)1-4-12(10)22-8-2-3-9(13(20)21)11(19)6-8/h1-6,19H,(H,20,21).
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid has a molecular weight of 332.66 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 14554243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).