4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid

C15H11F3O4 — CID 117220275

IUPAC4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O4/c16-15(17,18)11-7-9(5-6-10(11)14(20)21)8-22-13-4-2-1-3-12(13)19/h1-7,19H,8H2,(H,20,21)
InChIKeyKANYYIDRSGAUPL-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.69
Rot. Bonds4

About 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid

4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid (PubChem CID 117220275) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
PubChem CID117220275
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O4/c16-15(17,18)11-7-9(5-6-10(11)14(20)21)8-22-13-4-2-1-3-12(13)19/h1-7,19H,8H2,(H,20,21)
InChIKeyKANYYIDRSGAUPL-UHFFFAOYSA-N
XLogP3.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221712
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid (CID 117220275) is 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(COc2ccccc2O)cc1C(F)(F)F.
What is the InChIKey of 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The InChIKey is KANYYIDRSGAUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c16-15(17,18)11-7-9(5-6-10(11)14(20)21)8-22-13-4-2-1-3-12(13)19/h1-7,19H,8H2,(H,20,21).
What are the key properties of 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid has a molecular weight of 312.24 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 117220275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).