2-phenylmethoxy-3-(trifluoromethyl)benzoic acid

C15H11F3O3 — CID 23450801

IUPAC2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cccc(C(F)(F)F)c1OCc1ccccc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-8-4-7-11(14(19)20)13(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyAJAZMDCVZXUFSQ-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.98
Rot. Bonds4

About 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid

2-phenylmethoxy-3-(trifluoromethyl)benzoic acid (PubChem CID 23450801) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
PubChem CID23450801
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cccc(C(F)(F)F)c1OCc1ccccc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-8-4-7-11(14(19)20)13(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyAJAZMDCVZXUFSQ-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

Analyze 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
5-bromo-6-[[3-(trifluoromethyl)phenyl]methoxy]naphthalene-1-carboxylic acid
CID 13454965
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221712
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
3-(1,3-dioxol-2-yl)-4-phenylmethoxy-5-(trifluoromethyl)benzoic acid
CID 178077175
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569496

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid (CID 23450801) is 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid is O=C(O)c1cccc(C(F)(F)F)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid?
The InChIKey is AJAZMDCVZXUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)12-8-4-7-11(14(19)20)13(12)21-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20).
What are the key properties of 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid?
2-phenylmethoxy-3-(trifluoromethyl)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 2-phenylmethoxy-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 23450801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).