ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate

C17H15FO3 — CID 625408

IUPACethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(F)=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyOOZWLUONIUDXLH-UHFFFAOYSA-N
MW286.30 g/mol
LogP4.35
Rot. Bonds5

About ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate

ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate (PubChem CID 625408) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
PubChem CID625408
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(F)=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyOOZWLUONIUDXLH-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 54391840
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl (E)-3-(4-methoxyphenyl)-2-phenylselanylprop-2-enoate
CID 6375627
(E)-1-(3,5-difluoro-4-phenoxyphenyl)prop-1-en-2-ol;ethyl (E)-3-(3,5-difluoro-4-phenoxyphenyl)-2-methylprop-2-enoate
CID 158440424
ethyl (E)-2-cyano-3-(4-phenoxyanilino)prop-2-enoate
CID 17154952
ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
CID 15881087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate (CID 625408) is ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate is CCOC(=O)C(F)=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate?
The InChIKey is OOZWLUONIUDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate?
ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate has a molecular weight of 286.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate is sourced from PubChem (CID 625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).