2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid

C21H15F3O3 — CID 68869462

IUPAC2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H15F3O3/c22-21(23,24)17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(25)26)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26)
InChIKeyUAUXUHZNPBGTJB-UHFFFAOYSA-N
MW372.34 g/mol
LogP5.65
Rot. Bonds5

About 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid

2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 68869462) has the molecular formula C21H15F3O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
PubChem CID68869462
Molecular FormulaC21H15F3O3
Molecular Weight372.34 g/mol
Exact Mass372.10
IUPAC Name2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H15F3O3/c22-21(23,24)17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(25)26)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26)
InChIKeyUAUXUHZNPBGTJB-UHFFFAOYSA-N
XLogP5.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
(2R)-2-[(2-phenylmethoxybenzoyl)amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 118722738
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid (CID 68869462) is 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is UAUXUHZNPBGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O3/c22-21(23,24)17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(25)26)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26).
What are the key properties of 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid?
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 372.34 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 68869462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).