ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate

C14H18O4 — CID 10999453

IUPACethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
SMILESCCOC(=O)O[C@H](C)/C=C\[C@H](O)c1ccccc1
InChIInChI=1S/C14H18O4/c1-3-17-14(16)18-11(2)9-10-13(15)12-7-5-4-6-8-12/h4-11,13,15H,3H2,1-2H3/b10-9-/t11-,13+/m1/s1
InChIKeyNEKKWXYXZNGEQO-SMBHTCTHSA-N
MW250.29 g/mol
LogP2.84
Rot. Bonds5

About ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate

ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate (PubChem CID 10999453) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
PubChem CID10999453
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
SMILESCCOC(=O)O[C@H](C)/C=C\[C@H](O)c1ccccc1
InChIInChI=1S/C14H18O4/c1-3-17-14(16)18-11(2)9-10-13(15)12-7-5-4-6-8-12/h4-11,13,15H,3H2,1-2H3/b10-9-/t11-,13+/m1/s1
InChIKeyNEKKWXYXZNGEQO-SMBHTCTHSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate 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 [(Z,2S,5R)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 15348850
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 1-phenoxyethyl carbonate
CID 173360681
diethyl 2-[(E,5S)-5-phenoxycarbonyloxyhex-3-enyl]propanedioate
CID 10691047
ethyl 5-phenylhex-3-enoate
CID 71407022
ethyl 5-hydroxy-5-phenylpenta-2,3-dienoate
CID 102192904
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
CID 118088530
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2Z,4E)-2-acetyloxy-6-hydroxy-6-phenylhexa-2,4-dienoate
CID 11415060

Frequently Asked Questions

What is the IUPAC name of ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate?
The IUPAC name of ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate (CID 10999453) is ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate.
What is the SMILES notation for ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate?
The canonical SMILES for ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate is CCOC(=O)O[C@H](C)/C=C\[C@H](O)c1ccccc1.
What is the InChIKey of ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate?
The InChIKey is NEKKWXYXZNGEQO-SMBHTCTHSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-14(16)18-11(2)9-10-13(15)12-7-5-4-6-8-12/h4-11,13,15H,3H2,1-2H3/b10-9-/t11-,13+/m1/s1.
What are the key properties of ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate?
ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate has a molecular weight of 250.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate is sourced from PubChem (CID 10999453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).