methyl (E)-2-ethyl-4-phenylbut-3-enoate

C13H16O2 — CID 23244812

IUPACmethyl (E)-2-ethyl-4-phenylbut-3-enoate
SMILESCCC(/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C13H16O2/c1-3-12(13(14)15-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/b10-9+
InChIKeyMHKTYTKLOSMJGH-MDZDMXLPSA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds4

About methyl (E)-2-ethyl-4-phenylbut-3-enoate

methyl (E)-2-ethyl-4-phenylbut-3-enoate (PubChem CID 23244812) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl (E)-2-ethyl-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-ethyl-4-phenylbut-3-enoate
PubChem CID23244812
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl (E)-2-ethyl-4-phenylbut-3-enoate
SMILESCCC(/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C13H16O2/c1-3-12(13(14)15-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/b10-9+
InChIKeyMHKTYTKLOSMJGH-MDZDMXLPSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
CID 135058828
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
CID 134848197
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
methyl 2-ethylpent-3-enoate
CID 154241001
(E)-2-ethyl-4-(4-methylphenyl)-N-phenylbut-3-enamide
CID 138965403
3-methoxypent-1-enylbenzene
CID 71364960

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-ethyl-4-phenylbut-3-enoate?
The IUPAC name of methyl (E)-2-ethyl-4-phenylbut-3-enoate (CID 23244812) is methyl (E)-2-ethyl-4-phenylbut-3-enoate.
What is the SMILES notation for methyl (E)-2-ethyl-4-phenylbut-3-enoate?
The canonical SMILES for methyl (E)-2-ethyl-4-phenylbut-3-enoate is CCC(/C=C/c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (E)-2-ethyl-4-phenylbut-3-enoate?
The InChIKey is MHKTYTKLOSMJGH-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-12(13(14)15-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/b10-9+.
What are the key properties of methyl (E)-2-ethyl-4-phenylbut-3-enoate?
methyl (E)-2-ethyl-4-phenylbut-3-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-ethyl-4-phenylbut-3-enoate is sourced from PubChem (CID 23244812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).