ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate

C15H19FO3 — CID 102199704

IUPACethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(F)c1CC(C)OC
InChIInChI=1S/C15H19FO3/c1-4-19-15(17)9-8-12-6-5-7-14(16)13(12)10-11(2)18-3/h5-9,11H,4,10H2,1-3H3/b9-8+
InChIKeyVCWFVQTUJDRJFI-CMDGGOBGSA-N
MW266.31 g/mol
LogP2.98
Rot. Bonds6

About ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate

ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate (PubChem CID 102199704) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate
PubChem CID102199704
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Nameethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(F)c1CC(C)OC
InChIInChI=1S/C15H19FO3/c1-4-19-15(17)9-8-12-6-5-7-14(16)13(12)10-11(2)18-3/h5-9,11H,4,10H2,1-3H3/b9-8+
InChIKeyVCWFVQTUJDRJFI-CMDGGOBGSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate 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

ethyl (E)-3-(3-propan-2-yl-2-propylphenyl)prop-2-enoate
CID 130371473
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
ethyl (E)-3-(2-ethyl-3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 58566362
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl (E)-3-[4-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]prop-2-enoate
CID 55819147
ethyl 3-(4-fluoro-1H-indol-3-yl)prop-2-enoate
CID 123310892
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754
ethyl 3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 67314943
ethyl (Z)-3-(2-benzyl-3-methoxyphenyl)prop-2-enoate
CID 142648708
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl (E)-3-(3-bromo-2-fluorophenyl)prop-2-enoate;ethyl (E)-3-(2-fluoro-3-methylphenyl)prop-2-enoate;methane
CID 159629567

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate (CID 102199704) is ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1cccc(F)c1CC(C)OC.
What is the InChIKey of ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate?
The InChIKey is VCWFVQTUJDRJFI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19FO3/c1-4-19-15(17)9-8-12-6-5-7-14(16)13(12)10-11(2)18-3/h5-9,11H,4,10H2,1-3H3/b9-8+.
What are the key properties of ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate?
ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate has a molecular weight of 266.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-fluoro-2-(2-methoxypropyl)phenyl]prop-2-enoate is sourced from PubChem (CID 102199704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).