3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

C13H13F3O3 — CID 117437908

IUPAC3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CC(c1cc(C(F)(F)F)ccc1O)C1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)8-3-4-11(17)10(5-8)9(6-12(18)19)7-1-2-7/h3-5,7,9,17H,1-2,6H2,(H,18,19)
InChIKeyGNQYIMRLZKZQNW-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.38
Rot. Bonds4

About 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 117437908) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
PubChem CID117437908
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CC(c1cc(C(F)(F)F)ccc1O)C1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)8-3-4-11(17)10(5-8)9(6-12(18)19)7-1-2-7/h3-5,7,9,17H,1-2,6H2,(H,18,19)
InChIKeyGNQYIMRLZKZQNW-UHFFFAOYSA-N
XLogP3.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 82045643
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 117393605
3-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid
CID 117107864
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (CID 117437908) is 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is O=C(O)CC(c1cc(C(F)(F)F)ccc1O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is GNQYIMRLZKZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)8-3-4-11(17)10(5-8)9(6-12(18)19)7-1-2-7/h3-5,7,9,17H,1-2,6H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 274.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 117437908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).