methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate

C15H20O4 — CID 135058828

IUPACmethyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
SMILESCOCCOC[C@H](/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C15H20O4/c1-17-10-11-19-12-14(15(16)18-2)9-8-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b9-8+/t14-/m0/s1
InChIKeyMRYQLYDTEFQRCN-VFNNOXKTSA-N
MW264.32 g/mol
LogP2.15
Rot. Bonds8

About methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate

methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate (PubChem CID 135058828) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
PubChem CID135058828
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
SMILESCOCCOC[C@H](/C=C/c1ccccc1)C(=O)OC
InChIInChI=1S/C15H20O4/c1-17-10-11-19-12-14(15(16)18-2)9-8-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b9-8+/t14-/m0/s1
InChIKeyMRYQLYDTEFQRCN-VFNNOXKTSA-N
XLogP2.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
methyl 2-amino-3-(3-phenylprop-2-enoyloxy)propanoate
CID 54051865
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 81077327

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate?
The IUPAC name of methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate (CID 135058828) is methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate.
What is the SMILES notation for methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate?
The canonical SMILES for methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate is COCCOC[C@H](/C=C/c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate?
The InChIKey is MRYQLYDTEFQRCN-VFNNOXKTSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-10-11-19-12-14(15(16)18-2)9-8-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/b9-8+/t14-/m0/s1.
What are the key properties of methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate?
methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate is sourced from PubChem (CID 135058828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).