ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate

C12H10F6O3 — CID 134639165

IUPACethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H10F6O3/c1-2-21-9(20)4-6-3-7(19)5-8(11(13,14)15)10(6)12(16,17)18/h3,5,19H,2,4H2,1H3
InChIKeyOJPQRPAMFKDYPU-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.54
Rot. Bonds3

About ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate

ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate (PubChem CID 134639165) has the molecular formula C12H10F6O3 and a molecular weight of 316.20 g/mol. Its IUPAC name is ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
PubChem CID134639165
Molecular FormulaC12H10F6O3
Molecular Weight316.20 g/mol
Exact Mass316.05
IUPAC Nameethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H10F6O3/c1-2-21-9(20)4-6-3-7(19)5-8(11(13,14)15)10(6)12(16,17)18/h3,5,19H,2,4H2,1H3
InChIKeyOJPQRPAMFKDYPU-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-Hydroxyphenylacetate
CID 39129
Ethyl (3-Hydroxyphenyl)acetate
CID 572437
3-(2-Hydroxy-naphthalen-1-yl)-propionic acid methyl ester
CID 44322553
Ethyl 4-hydroxy-2,6-dimethylbenzoate
CID 4091946
4-Methoxy-2,6-dimethylbenzoic acid
CID 816764
Methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2-methylphenyl)propanoate
CID 4673519
o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester
CID 3025275
2,6-Dimethyl-4-hydroxybenzoic acid
CID 1514302
4-Hydroxy-2-(trifluoromethyl)benzoic acid
CID 2775111
2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid
CID 20345905
2-(3-Methoxy-5-(trifluoromethyl)phenyl)acetic acid
CID 46737581
10-Dihydrocurvularin
CID 125324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate (CID 134639165) is ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1cc(O)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The InChIKey is OJPQRPAMFKDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O3/c1-2-21-9(20)4-6-3-7(19)5-8(11(13,14)15)10(6)12(16,17)18/h3,5,19H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate has a molecular weight of 316.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 134639165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).