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

C11H11F3O4 — CID 84807388

IUPAC3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-18-7-4-6(2-3-9(15)16)10(17)8(5-7)11(12,13)14/h4-5,17H,2-3H2,1H3,(H,15,16)
InChIKeyBWXHBQPOOYOHSR-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.44
Rot. Bonds4

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

3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 84807388) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID84807388
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-18-7-4-6(2-3-9(15)16)10(17)8(5-7)11(12,13)14/h4-5,17H,2-3H2,1H3,(H,15,16)
InChIKeyBWXHBQPOOYOHSR-UHFFFAOYSA-N
XLogP2.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
CID 84690441
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
3-[3-chloro-4-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117424978
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid (CID 84807388) is 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid is COc1cc(CCC(=O)O)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is BWXHBQPOOYOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-18-7-4-6(2-3-9(15)16)10(17)8(5-7)11(12,13)14/h4-5,17H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid?
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 84807388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).