ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate

C14H18O3 — CID 14120230

IUPACethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
SMILESC=C[C@H](c1ccccc1)[C@H](OC)C(=O)OCC
InChIInChI=1S/C14H18O3/c1-4-12(11-9-7-6-8-10-11)13(16-3)14(15)17-5-2/h4,6-10,12-13H,1,5H2,2-3H3/t12-,13+/m1/s1
InChIKeySYWWQKAXFWPLJG-OLZOCXBDSA-N
MW234.29 g/mol
LogP2.53
Rot. Bonds6

About ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate

ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate (PubChem CID 14120230) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
PubChem CID14120230
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
SMILESC=C[C@H](c1ccccc1)[C@H](OC)C(=O)OCC
InChIInChI=1S/C14H18O3/c1-4-12(11-9-7-6-8-10-11)13(16-3)14(15)17-5-2/h4,6-10,12-13H,1,5H2,2-3H3/t12-,13+/m1/s1
InChIKeySYWWQKAXFWPLJG-OLZOCXBDSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S,3R)-2-methoxy-3-phenylpent-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

ethyl (2S,3R)-2-(benzhydrylideneamino)-3-phenylpent-4-enoate
CID 25137573
diethyl 2-(2-phenylbut-3-enyl)propanedioate
CID 102386384
ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
CID 23458283
ethyl 2-hydroxy-2-methyl-3-phenylpent-4-enoate
CID 11107268
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
diethyl 2-[(1S,3R)-3-hydroxy-1-phenylpent-4-enyl]propanedioate
CID 132540270
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate?
The IUPAC name of ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate (CID 14120230) is ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate.
What is the SMILES notation for ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate?
The canonical SMILES for ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate is C=C[C@H](c1ccccc1)[C@H](OC)C(=O)OCC.
What is the InChIKey of ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate?
The InChIKey is SYWWQKAXFWPLJG-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-12(11-9-7-6-8-10-11)13(16-3)14(15)17-5-2/h4,6-10,12-13H,1,5H2,2-3H3/t12-,13+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate?
ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate is sourced from PubChem (CID 14120230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).