methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate

C9H8F2O3 — CID 91755192

IUPACmethyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(F)c(O)cc1F
InChIInChI=1S/C9H8F2O3/c1-14-9(13)3-5-2-7(11)8(12)4-6(5)10/h2,4,12H,3H2,1H3
InChIKeyQJMHCLSOZCWZCQ-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.39
Rot. Bonds2

About methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate

methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate (PubChem CID 91755192) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
PubChem CID91755192
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(F)c(O)cc1F
InChIInChI=1S/C9H8F2O3/c1-14-9(13)3-5-2-7(11)8(12)4-6(5)10/h2,4,12H,3H2,1H3
InChIKeyQJMHCLSOZCWZCQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
methyl 2-[2-(chloromethyl)-4,5-difluorophenyl]acetate
CID 171019400
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
CID 130663727
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(4-amino-5-fluoro-2-methylphenyl)acetate
CID 131302688
methyl 2-[2-(bromomethyl)-5-fluoro-4-methylphenyl]acetate
CID 171018002

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate (CID 91755192) is methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate is COC(=O)Cc1cc(F)c(O)cc1F.
What is the InChIKey of methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate?
The InChIKey is QJMHCLSOZCWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-14-9(13)3-5-2-7(11)8(12)4-6(5)10/h2,4,12H,3H2,1H3.
What are the key properties of methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate?
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate has a molecular weight of 202.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 91755192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).