ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate

C13H14F2O3 — CID 20817473

IUPACethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(O)c(F)c1F
InChIInChI=1S/C13H14F2O3/c1-2-18-11(17)6-7-5-9(7)8-3-4-10(16)13(15)12(8)14/h3-4,7,9,16H,2,5-6H2,1H3
InChIKeyABWOJDZFZOVVQK-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.73
Rot. Bonds4

About ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate

ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate (PubChem CID 20817473) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate
PubChem CID20817473
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(O)c(F)c1F
InChIInChI=1S/C13H14F2O3/c1-2-18-11(17)6-7-5-9(7)8-3-4-10(16)13(15)12(8)14/h3-4,7,9,16H,2,5-6H2,1H3
InChIKeyABWOJDZFZOVVQK-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
CID 20817474
ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 58566544
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-[4-(4-chloro-2,3-difluorophenyl)cyclohexyl]acetate
CID 174866389
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
CID 59455542
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
CID 90118005
ethyl 2-[(4R,5R,7S)-7-ethoxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-4-yl]acetate
CID 135012327
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate (CID 20817473) is ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1ccc(O)c(F)c1F.
What is the InChIKey of ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The InChIKey is ABWOJDZFZOVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-2-18-11(17)6-7-5-9(7)8-3-4-10(16)13(15)12(8)14/h3-4,7,9,16H,2,5-6H2,1H3.
What are the key properties of ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate?
ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate has a molecular weight of 256.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 20817473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).