ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate

C15H19FO4 — CID 153411971

IUPACethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(/C=C/OC)c(F)c1
InChIInChI=1S/C15H19FO4/c1-5-19-14(17)15(2,3)20-12-7-6-11(8-9-18-4)13(16)10-12/h6-10H,5H2,1-4H3/b9-8+
InChIKeyHIZDSHRFVWSRHP-CMDGGOBGSA-N
MW282.31 g/mol
LogP3.16
Rot. Bonds6

About ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate

ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate (PubChem CID 153411971) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
PubChem CID153411971
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Nameethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(/C=C/OC)c(F)c1
InChIInChI=1S/C15H19FO4/c1-5-19-14(17)15(2,3)20-12-7-6-11(8-9-18-4)13(16)10-12/h6-10H,5H2,1-4H3/b9-8+
InChIKeyHIZDSHRFVWSRHP-CMDGGOBGSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-[4-chloro-3-[(E)-2-nitroethenyl]phenoxy]-2-methylpropanoate
CID 155564495
ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
CID 143092770
ethyl 2-(4-ethynylphenoxy)-2-methylpropanoate
CID 21494890
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl 2-(3-isocyanophenoxy)-2-methylpropanoate
CID 58009621
ethyl 2-[4-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]phenoxy]-2-methylpropanoate
CID 54587554
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate (CID 153411971) is ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(/C=C/OC)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate?
The InChIKey is HIZDSHRFVWSRHP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19FO4/c1-5-19-14(17)15(2,3)20-12-7-6-11(8-9-18-4)13(16)10-12/h6-10H,5H2,1-4H3/b9-8+.
What are the key properties of ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate?
ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate has a molecular weight of 282.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 153411971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).