methyl (Z)-2-benzyl-4-phenylbut-3-enoate

C18H18O2 — CID 102009191

IUPACmethyl (Z)-2-benzyl-4-phenylbut-3-enoate
SMILESCOC(=O)C(/C=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3/b13-12-
InChIKeyRMYLBEUSGXXYGI-SEYXRHQNSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds5

About methyl (Z)-2-benzyl-4-phenylbut-3-enoate

methyl (Z)-2-benzyl-4-phenylbut-3-enoate (PubChem CID 102009191) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (Z)-2-benzyl-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzyl-4-phenylbut-3-enoate
PubChem CID102009191
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (Z)-2-benzyl-4-phenylbut-3-enoate
SMILESCOC(=O)C(/C=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3/b13-12-
InChIKeyRMYLBEUSGXXYGI-SEYXRHQNSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl (E,2S)-2-benzyl-6-phenylhex-3-enoate
CID 102176884
methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
CID 135058828
methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
CID 134848197
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl (2S)-2-[[(E,2S,3S)-3-methyl-2-(4-methylphenyl)-5-phenylpent-4-enyl]amino]-3-phenylpropanoate
CID 175776217
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 2-benzyl-4-oxobutanoate
CID 10608348
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-benzyl-4-phenylbut-3-enoate?
The IUPAC name of methyl (Z)-2-benzyl-4-phenylbut-3-enoate (CID 102009191) is methyl (Z)-2-benzyl-4-phenylbut-3-enoate.
What is the SMILES notation for methyl (Z)-2-benzyl-4-phenylbut-3-enoate?
The canonical SMILES for methyl (Z)-2-benzyl-4-phenylbut-3-enoate is COC(=O)C(/C=C\c1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (Z)-2-benzyl-4-phenylbut-3-enoate?
The InChIKey is RMYLBEUSGXXYGI-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3/b13-12-.
What are the key properties of methyl (Z)-2-benzyl-4-phenylbut-3-enoate?
methyl (Z)-2-benzyl-4-phenylbut-3-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzyl-4-phenylbut-3-enoate is sourced from PubChem (CID 102009191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).