4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid

C15H11F3O3 — CID 43214876

IUPAC4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-5-1-10(2-6-12)9-21-13-7-3-11(4-8-13)14(19)20/h1-8H,9H2,(H,19,20)
InChIKeyQOJJLLMWPLJBAO-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.98
Rot. Bonds4

About 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid

4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid (PubChem CID 43214876) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
PubChem CID43214876
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-5-1-10(2-6-12)9-21-13-7-3-11(4-8-13)14(19)20/h1-8H,9H2,(H,19,20)
InChIKeyQOJJLLMWPLJBAO-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
1-hydroxy-2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanesulfonic acid
CID 13340075
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
4-phenylmethoxybenzoic acid
CID 68896574
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid (CID 43214876) is 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid?
The InChIKey is QOJJLLMWPLJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)12-5-1-10(2-6-12)9-21-13-7-3-11(4-8-13)14(19)20/h1-8H,9H2,(H,19,20).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid?
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid has a molecular weight of 296.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 43214876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).