methyl 3-(4-ethenyl-3-fluorophenyl)propanoate

C12H13FO2 — CID 167531141

IUPACmethyl 3-(4-ethenyl-3-fluorophenyl)propanoate
SMILESC=Cc1ccc(CCC(=O)OC)cc1F
InChIInChI=1S/C12H13FO2/c1-3-10-6-4-9(8-11(10)13)5-7-12(14)15-2/h3-4,6,8H,1,5,7H2,2H3
InChIKeyYENJANXYDAISTC-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.57
Rot. Bonds4

About methyl 3-(4-ethenyl-3-fluorophenyl)propanoate

methyl 3-(4-ethenyl-3-fluorophenyl)propanoate (PubChem CID 167531141) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is methyl 3-(4-ethenyl-3-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethenyl-3-fluorophenyl)propanoate
PubChem CID167531141
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namemethyl 3-(4-ethenyl-3-fluorophenyl)propanoate
SMILESC=Cc1ccc(CCC(=O)OC)cc1F
InChIInChI=1S/C12H13FO2/c1-3-10-6-4-9(8-11(10)13)5-7-12(14)15-2/h3-4,6,8H,1,5,7H2,2H3
InChIKeyYENJANXYDAISTC-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3-(4-ethenyl-3-fluorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3,5-difluoro-4-formylphenyl)propanoate
CID 138986712
ethyl 3-(3-ethenyl-4,5-difluorophenyl)propanoate
CID 57470571
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
ethyl 2-formyl-5-(3-methoxy-3-oxopropyl)benzoate
CID 134642024
CID 145100572
CID 145100572
methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-[2-(chloromethyl)-3H-benzimidazol-5-yl]propanoate
CID 122513917
(E)-3-[5-(3-methoxy-3-oxopropyl)-2-methylphenyl]prop-2-enoic acid
CID 134628684
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethenyl-3-fluorophenyl)propanoate?
The IUPAC name of methyl 3-(4-ethenyl-3-fluorophenyl)propanoate (CID 167531141) is methyl 3-(4-ethenyl-3-fluorophenyl)propanoate.
What is the SMILES notation for methyl 3-(4-ethenyl-3-fluorophenyl)propanoate?
The canonical SMILES for methyl 3-(4-ethenyl-3-fluorophenyl)propanoate is C=Cc1ccc(CCC(=O)OC)cc1F.
What is the InChIKey of methyl 3-(4-ethenyl-3-fluorophenyl)propanoate?
The InChIKey is YENJANXYDAISTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-3-10-6-4-9(8-11(10)13)5-7-12(14)15-2/h3-4,6,8H,1,5,7H2,2H3.
What are the key properties of methyl 3-(4-ethenyl-3-fluorophenyl)propanoate?
methyl 3-(4-ethenyl-3-fluorophenyl)propanoate has a molecular weight of 208.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethenyl-3-fluorophenyl)propanoate is sourced from PubChem (CID 167531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).