methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate

C10H9F3O4 — CID 170997161

IUPACmethyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O4/c1-16-9(15)4-6-2-7(14)5-8(3-6)17-10(11,12)13/h2-3,5,14H,4H2,1H3
InChIKeyPQBOHLABHXRWLY-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate

methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate (PubChem CID 170997161) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
PubChem CID170997161
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Namemethyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O4/c1-16-9(15)4-6-2-7(14)5-8(3-6)17-10(11,12)13/h2-3,5,14H,4H2,1H3
InChIKeyPQBOHLABHXRWLY-UHFFFAOYSA-N
XLogP2.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-hydroxy-5-(trifluoromethoxy)phenyl]methyl]carbamate
CID 171365356
3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
CID 171365357
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
CID 57443556
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
methyl 2-[2-sulfanyl-5-(trifluoromethoxy)phenyl]acetate
CID 170999391
methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
CID 86613480
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
ethyl 2-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]acetate
CID 170998956
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
tert-butyl 3-hydroxy-5-(trifluoromethoxy)benzoate
CID 172648442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate (CID 170997161) is methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate is COC(=O)Cc1cc(O)cc(OC(F)(F)F)c1.
What is the InChIKey of methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate?
The InChIKey is PQBOHLABHXRWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-16-9(15)4-6-2-7(14)5-8(3-6)17-10(11,12)13/h2-3,5,14H,4H2,1H3.
What are the key properties of methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate?
methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate has a molecular weight of 250.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170997161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).