3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid

C15H11F3O4 — CID 53228622

IUPAC3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O4/c1-22-13-5-3-8(6-11(13)15(16,17)18)10-4-2-9(14(20)21)7-12(10)19/h2-7,19H,1H3,(H,20,21)
InChIKeySDCWJJOAIPTKQX-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.78
Rot. Bonds3

About 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid

3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 53228622) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
PubChem CID53228622
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O4/c1-22-13-5-3-8(6-11(13)15(16,17)18)10-4-2-9(14(20)21)7-12(10)19/h2-7,19H,1H3,(H,20,21)
InChIKeySDCWJJOAIPTKQX-UHFFFAOYSA-N
XLogP3.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
3-hydroxy-4-methoxybenzoic acid
CID 12575
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
3-chloro-4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]benzoic acid
CID 143502040
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid (CID 53228622) is 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2O)cc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is SDCWJJOAIPTKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c1-22-13-5-3-8(6-11(13)15(16,17)18)10-4-2-9(14(20)21)7-12(10)19/h2-7,19H,1H3,(H,20,21).
What are the key properties of 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid?
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 312.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 53228622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).