3-phenylpropyl (E)-3-cyclopentylprop-2-enoate

C17H22O2 — CID 10634969

IUPAC3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
SMILESO=C(/C=C/C1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H22O2/c18-17(13-12-16-9-4-5-10-16)19-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,12-13,16H,4-6,9-11,14H2/b13-12+
InChIKeyZZEDYIHDZCFOPD-OUKQBFOZSA-N
MW258.36 g/mol
LogP3.91
Rot. Bonds6

About 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate

3-phenylpropyl (E)-3-cyclopentylprop-2-enoate (PubChem CID 10634969) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Name3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
PubChem CID10634969
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
SMILESO=C(/C=C/C1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H22O2/c18-17(13-12-16-9-4-5-10-16)19-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,12-13,16H,4-6,9-11,14H2/b13-12+
InChIKeyZZEDYIHDZCFOPD-OUKQBFOZSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenylpropyl (E)-3-cyclopentylprop-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

4-O-(cyclohexylmethyl) 1-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710137
(E)-4-oxo-4-(3-phenylpropoxy)but-2-enoic acid
CID 54583605
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
CID 174426915
1-O-octyl 4-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710158
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 6234129
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
(2-carboxy-3-cyclohexylprop-2-enyl)-oxo-(3-phenylpropoxy)phosphanium
CID 67804824
4-O-benzyl 1-O-decyl (Z)-but-2-enedioate
CID 5369272

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate?
The IUPAC name of 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate (CID 10634969) is 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate.
What is the SMILES notation for 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate?
The canonical SMILES for 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate is O=C(/C=C/C1CCCC1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate?
The InChIKey is ZZEDYIHDZCFOPD-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H22O2/c18-17(13-12-16-9-4-5-10-16)19-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,12-13,16H,4-6,9-11,14H2/b13-12+.
What are the key properties of 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate?
3-phenylpropyl (E)-3-cyclopentylprop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl (E)-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 10634969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).