4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid

C11H11F3O4 — CID 84738454

IUPAC4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-18-10(6-9(16)17,11(12,13)14)7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyNJNIVLAVGMGMNC-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.27
Rot. Bonds4

About 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid

4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid (PubChem CID 84738454) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
PubChem CID84738454
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-18-10(6-9(16)17,11(12,13)14)7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyNJNIVLAVGMGMNC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

beta-4-Hydroxyphenylhydracrylic acid
CID 192095
Methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate
CID 4673519
Methyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 117245368
2-[Hydroxy-(4-methoxyphenyl)methyl]prop-2-enoic acid
CID 122190343
4-Hydroxyphenylmalonic acid
CID 3017479
[(4-Methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
CID 44147396
(3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoic acid
CID 11550582
ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate
CID 11608861
Taraxafolin
CID 10987942
alpha-Methyl-4-(trifluoromethoxy)benzeneacetic acid
CID 19908476
3-[4-(Trifluoromethoxy)phenyl]butanoic acid
CID 43211339
3-Hydroxy-3-(4-hydroxyphenyl)propanoate
CID 20982136

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid (CID 84738454) is 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid is COC(CC(=O)O)(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid?
The InChIKey is NJNIVLAVGMGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-18-10(6-9(16)17,11(12,13)14)7-2-4-8(15)5-3-7/h2-5,15H,6H2,1H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid?
4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid is sourced from PubChem (CID 84738454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).