ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate

C11H9FO3 — CID 165451928

IUPACethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate
SMILESCCOC(=O)C#Cc1c(O)cccc1F
InChIInChI=1S/C11H9FO3/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5,13H,2H2,1H3
InChIKeyOLQNAABKXDUTPR-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.45
Rot. Bonds1

About ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate

ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate (PubChem CID 165451928) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate
PubChem CID165451928
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Nameethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate
SMILESCCOC(=O)C#Cc1c(O)cccc1F
InChIInChI=1S/C11H9FO3/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5,13H,2H2,1H3
InChIKeyOLQNAABKXDUTPR-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,3-difluoro-4-methylphenyl)prop-2-ynoate
CID 107514271
ethyl 3-(3-cyanophenyl)prop-2-ynoate
CID 18549368
ethyl 3-(4-aminophenyl)prop-2-ynoate
CID 20525747
ethyl 3-phenylprop-2-ynoate;tris(2,3,4,5,6-pentafluorophenyl)borane
CID 139256864
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 3-[2-(trifluoromethyl)phenyl]prop-2-ynoate
CID 53434762
ethyl 3-(7-methyl-1-benzofuran-2-yl)prop-2-ynoate
CID 114733035
ethyl 3-(4-tert-butyl-2-hydroxyphenyl)prop-2-ynoate
CID 15937351
ethyl 3-(2,6-difluorophenyl)-2-oxopropanoate
CID 18370505
ethyl 3-(4-hydroxy-2-methylphenyl)prop-2-ynoate
CID 165451931
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
CID 134653675
ethyl 3-[3-(2-methylpropyl)phenyl]prop-2-ynoate
CID 116545608

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate?
The IUPAC name of ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate (CID 165451928) is ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate.
What is the SMILES notation for ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate?
The canonical SMILES for ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate is CCOC(=O)C#Cc1c(O)cccc1F.
What is the InChIKey of ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate?
The InChIKey is OLQNAABKXDUTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-5,13H,2H2,1H3.
What are the key properties of ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate?
ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate has a molecular weight of 208.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-6-hydroxyphenyl)prop-2-ynoate is sourced from PubChem (CID 165451928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).