methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate

C11H11F3O4 — CID 4673519

IUPACmethyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)C(O)(c1ccc(O)cc1C)C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-6-5-7(15)3-4-8(6)10(17,9(16)18-2)11(12,13)14/h3-5,15,17H,1-2H3
InChIKeyHDPNWZQITALSBU-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.62
Rot. Bonds2

About methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate

methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate (PubChem CID 4673519) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate
PubChem CID4673519
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Namemethyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)C(O)(c1ccc(O)cc1C)C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-6-5-7(15)3-4-8(6)10(17,9(16)18-2)11(12,13)14/h3-5,15,17H,1-2H3
InChIKeyHDPNWZQITALSBU-UHFFFAOYSA-N
XLogP1.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate (CID 4673519) is methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate is COC(=O)C(O)(c1ccc(O)cc1C)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate?
The InChIKey is HDPNWZQITALSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-6-5-7(15)3-4-8(6)10(17,9(16)18-2)11(12,13)14/h3-5,15,17H,1-2H3.
What are the key properties of methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate?
methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate has a molecular weight of 264.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate is sourced from PubChem (CID 4673519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).