benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate

C24H24O4 — CID 102358989

IUPACbenzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate
SMILESO=C1C=C[C@@](C/C=C/C(=O)OCc2ccccc2)(CCCc2ccccc2)O1
InChIInChI=1S/C24H24O4/c25-22(27-19-21-11-5-2-6-12-21)14-8-17-24(18-15-23(26)28-24)16-7-13-20-9-3-1-4-10-20/h1-6,8-12,14-15,18H,7,13,16-17,19H2/b14-8+/t24-/m0/s1
InChIKeyWIYOQASTXZZMLN-VZAKSBQTSA-N
MW376.45 g/mol
LogP4.55
Rot. Bonds9

About benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate

benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate (PubChem CID 102358989) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate
PubChem CID102358989
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namebenzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate
SMILESO=C1C=C[C@@](C/C=C/C(=O)OCc2ccccc2)(CCCc2ccccc2)O1
InChIInChI=1S/C24H24O4/c25-22(27-19-21-11-5-2-6-12-21)14-8-17-24(18-15-23(26)28-24)16-7-13-20-9-3-1-4-10-20/h1-6,8-12,14-15,18H,7,13,16-17,19H2/b14-8+/t24-/m0/s1
InChIKeyWIYOQASTXZZMLN-VZAKSBQTSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-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

benzyl (E)-4-(1-hydroxycyclopropyl)but-2-enoate
CID 134963166
benzyl (E)-4-[(2S)-2-methyl-5-oxo-3-phenylfuran-2-yl]but-2-enoate
CID 102358991
benzyl (E)-3-aminoprop-2-enoate
CID 12649137
benzyl hex-2-enoate
CID 3828590
methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)
CID 101318155
benzyl (E)-3-cyanoprop-2-enoate
CID 15285348
(E)-4-oxo-4-(3-phenylpropoxy)but-2-enoic acid
CID 54583605
azane;4-oxo-4-phenylmethoxybut-2-enoic acid
CID 77366810
benzyl (E)-but-2-enoate
CID 5356259
4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
CID 129363713
dibenzyl (Z)-but-2-enedioate;diphenyl (Z)-but-2-enedioate
CID 160774605

Frequently Asked Questions

What is the IUPAC name of benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate?
The IUPAC name of benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate (CID 102358989) is benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate.
What is the SMILES notation for benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate?
The canonical SMILES for benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate is O=C1C=C[C@@](C/C=C/C(=O)OCc2ccccc2)(CCCc2ccccc2)O1.
What is the InChIKey of benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate?
The InChIKey is WIYOQASTXZZMLN-VZAKSBQTSA-N. The full InChI is InChI=1S/C24H24O4/c25-22(27-19-21-11-5-2-6-12-21)14-8-17-24(18-15-23(26)28-24)16-7-13-20-9-3-1-4-10-20/h1-6,8-12,14-15,18H,7,13,16-17,19H2/b14-8+/t24-/m0/s1.
What are the key properties of benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate?
benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate has a molecular weight of 376.45 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-4-[(2S)-5-oxo-2-(3-phenylpropyl)furan-2-yl]but-2-enoate is sourced from PubChem (CID 102358989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).