ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate

C11H11FO3 — CID 90656941

IUPACethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(F)ccc1O
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h3-7,13H,2H2,1H3/b6-3-
InChIKeyWPJUITWUKANQHJ-UTCJRWHESA-N
MW210.20 g/mol
LogP2.11
Rot. Bonds3

About ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate

ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate (PubChem CID 90656941) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
PubChem CID90656941
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Nameethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(F)ccc1O
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h3-7,13H,2H2,1H3/b6-3-
InChIKeyWPJUITWUKANQHJ-UTCJRWHESA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 57408075
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
ethyl 3-(5-fluoro-4-hydroxy-2-methylphenyl)prop-2-enoate
CID 76832046
ethyl (E)-3-[5-fluoro-2-(3-oxobutyl)phenyl]prop-2-enoate
CID 24806982
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate (CID 90656941) is ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate is CCOC(=O)/C=C\c1cc(F)ccc1O.
What is the InChIKey of ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate?
The InChIKey is WPJUITWUKANQHJ-UTCJRWHESA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h3-7,13H,2H2,1H3/b6-3-.
What are the key properties of ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate?
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate has a molecular weight of 210.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 90656941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).