2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C11H11F3O5 — CID 117449576

IUPAC2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H11F3O5/c1-18-7-4-5(8(15)10(16)17)3-6(9(7)19-2)11(12,13)14/h3-4,8,15H,1-2H3,(H,16,17)
InChIKeyRGRYYJFTWRKVBE-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.84
Rot. Bonds4

About 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117449576) has the molecular formula C11H11F3O5 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117449576
Molecular FormulaC11H11F3O5
Molecular Weight280.20 g/mol
Exact Mass280.06
IUPAC Name2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H11F3O5/c1-18-7-4-5(8(15)10(16)17)3-6(9(7)19-2)11(12,13)14/h3-4,8,15H,1-2H3,(H,16,17)
InChIKeyRGRYYJFTWRKVBE-UHFFFAOYSA-N
XLogP1.84
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
2-[4-ethyl-3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135742818
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-hydroxy-2-[3-iodo-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134638431
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655958
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 117449576) is 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)cc(C(F)(F)F)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is RGRYYJFTWRKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O5/c1-18-7-4-5(8(15)10(16)17)3-6(9(7)19-2)11(12,13)14/h3-4,8,15H,1-2H3,(H,16,17).
What are the key properties of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 280.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117449576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).