3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid

C15H11F3O4 — CID 53228592

IUPAC3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C15H11F3O4/c1-22-13-3-2-10(15(16,17)18)7-12(13)8-4-9(14(20)21)6-11(19)5-8/h2-7,19H,1H3,(H,20,21)
InChIKeyQQJZQIPQUXFDQN-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.78
Rot. Bonds3

About 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid

3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 53228592) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
PubChem CID53228592
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C15H11F3O4/c1-22-13-3-2-10(15(16,17)18)7-12(13)8-4-9(14(20)21)6-11(19)5-8/h2-7,19H,1H3,(H,20,21)
InChIKeyQQJZQIPQUXFDQN-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

4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
3-chloro-4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]benzoic acid
CID 143502040
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoic acid;N-methylmethanamine
CID 142535512
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid (CID 53228592) is 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid is COc1ccc(C(F)(F)F)cc1-c1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is QQJZQIPQUXFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c1-22-13-3-2-10(15(16,17)18)7-12(13)8-4-9(14(20)21)6-11(19)5-8/h2-7,19H,1H3,(H,20,21).
What are the key properties of 3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
3-hydroxy-5-[2-methoxy-5-(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-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 53228592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).