ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate

C17H15FO3 — CID 67788155

IUPACethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)11-10-13-6-5-7-14(12-13)21-16-9-4-3-8-15(16)18/h3-12H,2H2,1H3
InChIKeyWTPULDUGZPXHBH-UHFFFAOYSA-N
MW286.30 g/mol
LogP4.19
Rot. Bonds5

About ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate

ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate (PubChem CID 67788155) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate
PubChem CID67788155
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Nameethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)11-10-13-6-5-7-14(12-13)21-16-9-4-3-8-15(16)18/h3-12H,2H2,1H3
InChIKeyWTPULDUGZPXHBH-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate (CID 67788155) is ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1cccc(Oc2ccccc2F)c1.
What is the InChIKey of ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate?
The InChIKey is WTPULDUGZPXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-20-17(19)11-10-13-6-5-7-14(12-13)21-16-9-4-3-8-15(16)18/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate?
ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate has a molecular weight of 286.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-fluorophenoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 67788155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).