methyl (E)-3,5-diphenylpent-4-enoate

C18H18O2 — CID 15893254

IUPACmethyl (E)-3,5-diphenylpent-4-enoate
SMILESCOC(=O)CC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3/b13-12+
InChIKeyHSSGVQJJISFROM-OUKQBFOZSA-N
MW266.34 g/mol
LogP4.05
Rot. Bonds5

About methyl (E)-3,5-diphenylpent-4-enoate

methyl (E)-3,5-diphenylpent-4-enoate (PubChem CID 15893254) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (E)-3,5-diphenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-3,5-diphenylpent-4-enoate
PubChem CID15893254
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namemethyl (E)-3,5-diphenylpent-4-enoate
SMILESCOC(=O)CC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3/b13-12+
InChIKeyHSSGVQJJISFROM-OUKQBFOZSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (E)-3,5-diphenylpent-4-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

methyl 4-[(E)-5-methoxy-5-oxo-1-phenylpent-1-en-3-yl]benzoate
CID 11221025
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
methyl (3R,5S)-3,5-dihydroxy-7-phenylhept-6-enoate
CID 54384932
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
4-methoxy-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71325831
methyl (Z,3R)-3-(4-phenylmethoxyphenyl)hex-4-enoate
CID 118619340
methyl 3-(4-phenylmethoxyphenyl)hex-4-enoate
CID 68734059
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
CID 102311253
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3,5-diphenylpent-4-enoate?
The IUPAC name of methyl (E)-3,5-diphenylpent-4-enoate (CID 15893254) is methyl (E)-3,5-diphenylpent-4-enoate.
What is the SMILES notation for methyl (E)-3,5-diphenylpent-4-enoate?
The canonical SMILES for methyl (E)-3,5-diphenylpent-4-enoate is COC(=O)CC(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-3,5-diphenylpent-4-enoate?
The InChIKey is HSSGVQJJISFROM-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18(19)14-17(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 (E)-3,5-diphenylpent-4-enoate?
methyl (E)-3,5-diphenylpent-4-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3,5-diphenylpent-4-enoate is sourced from PubChem (CID 15893254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).