ethyl 5-phenylhex-3-enoate

C14H18O2 — CID 71407022

IUPACethyl 5-phenylhex-3-enoate
SMILESCCOC(=O)CC=CC(C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3
InChIKeySNDWCNHWHUUVJY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds5

About ethyl 5-phenylhex-3-enoate

ethyl 5-phenylhex-3-enoate (PubChem CID 71407022) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 5-phenylhex-3-enoate.

Molecular Properties

Compound Nameethyl 5-phenylhex-3-enoate
PubChem CID71407022
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 5-phenylhex-3-enoate
SMILESCCOC(=O)CC=CC(C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3
InChIKeySNDWCNHWHUUVJY-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 5-phenylhex-3-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

ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
dimethyl 2-[(E)-4-phenylpent-2-enyl]propanedioate
CID 122378801
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
CID 59915630
diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 3-[4-(5-phenylhex-3-enylamino)phenyl]prop-2-enoate
CID 57024577
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
ethyl 3-phenylhex-5-enoate
CID 11481375
ethyl 2-ethyl-4-phenylpent-2-enoate
CID 123338226

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylhex-3-enoate?
The IUPAC name of ethyl 5-phenylhex-3-enoate (CID 71407022) is ethyl 5-phenylhex-3-enoate.
What is the SMILES notation for ethyl 5-phenylhex-3-enoate?
The canonical SMILES for ethyl 5-phenylhex-3-enoate is CCOC(=O)CC=CC(C)c1ccccc1.
What is the InChIKey of ethyl 5-phenylhex-3-enoate?
The InChIKey is SNDWCNHWHUUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of ethyl 5-phenylhex-3-enoate?
ethyl 5-phenylhex-3-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylhex-3-enoate is sourced from PubChem (CID 71407022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).