[3-hydroxy-2-(trifluoromethyl)phenyl] acetate

C9H7F3O3 — CID 164772519

IUPAC[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-5(13)15-7-4-2-3-6(14)8(7)9(10,11)12/h2-4,14H,1H3
InChIKeyYUEQOWFJGZHDPV-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.34
Rot. Bonds1

About [3-hydroxy-2-(trifluoromethyl)phenyl] acetate

[3-hydroxy-2-(trifluoromethyl)phenyl] acetate (PubChem CID 164772519) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is [3-hydroxy-2-(trifluoromethyl)phenyl] acetate.

Molecular Properties

Compound Name[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
PubChem CID164772519
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-5(13)15-7-4-2-3-6(14)8(7)9(10,11)12/h2-4,14H,1H3
InChIKeyYUEQOWFJGZHDPV-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone;[2-(trifluoromethyl)phenyl] acetate
CID 157142178
[2-[2-chloro-4-(trifluoromethyl)phenyl]-3-hydroxyphenyl] acetate
CID 54489548
[1-benzoyl-5-hydroxy-4-(trifluoromethyl)indol-3-yl] acetate
CID 57250127
triphenylen-1-yl acetate
CID 87276472
(2,6-dihydroxyphenyl) acetate
CID 19910305
2,6-diacetyloxybenzoic acid
CID 10007406
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
[2-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl] acetate
CID 156765059
(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
CID 141429997
(3-tert-butyl-4-hydroxy-2-iodophenyl) acetate
CID 87177872

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(trifluoromethyl)phenyl] acetate?
The IUPAC name of [3-hydroxy-2-(trifluoromethyl)phenyl] acetate (CID 164772519) is [3-hydroxy-2-(trifluoromethyl)phenyl] acetate.
What is the SMILES notation for [3-hydroxy-2-(trifluoromethyl)phenyl] acetate?
The canonical SMILES for [3-hydroxy-2-(trifluoromethyl)phenyl] acetate is CC(=O)Oc1cccc(O)c1C(F)(F)F.
What is the InChIKey of [3-hydroxy-2-(trifluoromethyl)phenyl] acetate?
The InChIKey is YUEQOWFJGZHDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-5(13)15-7-4-2-3-6(14)8(7)9(10,11)12/h2-4,14H,1H3.
What are the key properties of [3-hydroxy-2-(trifluoromethyl)phenyl] acetate?
[3-hydroxy-2-(trifluoromethyl)phenyl] acetate has a molecular weight of 220.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(trifluoromethyl)phenyl] acetate is sourced from PubChem (CID 164772519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).