ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate

C10H10F2O4 — CID 117335730

IUPACethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H10F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,9,13-14H,2H2,1H3
InChIKeySMWPBPSNUORMKS-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.27
Rot. Bonds3

About ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate

ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117335730) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117335730
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Nameethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H10F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,9,13-14H,2H2,1H3
InChIKeySMWPBPSNUORMKS-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-hydroxyacetate
CID 117495234
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117374774
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl 3-(2-amino-3,5-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866176
ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
CID 117108833
ethyl 2-[3-(difluoromethyl)-2-hydroxy-5-methoxyphenyl]-2-hydroxyacetate
CID 117442001
3-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoic acid
CID 53417356
ethyl (3R)-3-amino-2-fluoro-3-(2,3,5-trifluorophenyl)propanoate
CID 171241412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate (CID 117335730) is ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(F)cc(F)c1O.
What is the InChIKey of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is SMWPBPSNUORMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,9,13-14H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 232.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117335730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).