3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

C10H8ClF3O3 — CID 117424978

IUPAC3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O3/c11-7-4-5(1-2-8(15)16)3-6(9(7)17)10(12,13)14/h3-4,17H,1-2H2,(H,15,16)
InChIKeyFKUFTPHIZAODPD-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.08
Rot. Bonds3

About 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid

3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 117424978) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
PubChem CID117424978
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O3/c11-7-4-5(1-2-8(15)16)3-6(9(7)17)10(12,13)14/h3-4,17H,1-2H2,(H,15,16)
InChIKeyFKUFTPHIZAODPD-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 123716862
(2S)-2-[[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]methyl]butanedioic acid
CID 68674816
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;ethene;methane
CID 159967546
3-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanoic acid
CID 175665772
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84807388
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid)
CID 53442841
bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);2,2-dimethylpropane-1,3-diol
CID 87082083
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid (CID 117424978) is 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is O=C(O)CCc1cc(Cl)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is FKUFTPHIZAODPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c11-7-4-5(1-2-8(15)16)3-6(9(7)17)10(12,13)14/h3-4,17H,1-2H2,(H,15,16).
What are the key properties of 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid?
3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 268.62 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 117424978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).