ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate

C18H17FO2 — CID 10779406

IUPACethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C18H17FO2/c1-3-21-18(20)12-16(14-10-8-13(2)9-11-14)15-6-4-5-7-17(15)19/h4-12H,3H2,1-2H3/b16-12+
InChIKeyVPNHFWUBTFWWNG-FOWTUZBSSA-N
MW284.33 g/mol
LogP4.13
Rot. Bonds4

About ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate

ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 10779406) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
PubChem CID10779406
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Nameethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C18H17FO2/c1-3-21-18(20)12-16(14-10-8-13(2)9-11-14)15-6-4-5-7-17(15)19/h4-12H,3H2,1-2H3/b16-12+
InChIKeyVPNHFWUBTFWWNG-FOWTUZBSSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate
CID 164845141
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl 3-hydroxy-3-(4-methylphenyl)prop-2-enoate
CID 71356233
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl 3-chloro-3-(4-methylphenyl)prop-2-enoate
CID 86586401
ethyl (E)-4,4,4-trifluoro-3-(4-methylphenyl)but-2-enoate
CID 12063996
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate (CID 10779406) is ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate is CCOC(=O)/C=C(\c1ccc(C)cc1)c1ccccc1F.
What is the InChIKey of ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is VPNHFWUBTFWWNG-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H17FO2/c1-3-21-18(20)12-16(14-10-8-13(2)9-11-14)15-6-4-5-7-17(15)19/h4-12H,3H2,1-2H3/b16-12+.
What are the key properties of ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate?
ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 284.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 10779406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).