[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate

C14H18O3 — CID 10933409

IUPAC[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate
SMILESC/C=C/C[C@](O)(COC(C)=O)c1ccccc1
InChIInChI=1S/C14H18O3/c1-3-4-10-14(16,11-17-12(2)15)13-8-6-5-7-9-13/h3-9,16H,10-11H2,1-2H3/b4-3+/t14-/m0/s1
InChIKeyKQBADRUXRGBZFR-XGACYXMMSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds5

About [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate

[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate (PubChem CID 10933409) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate.

Molecular Properties

Compound Name[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate
PubChem CID10933409
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate
SMILESC/C=C/C[C@](O)(COC(C)=O)c1ccccc1
InChIInChI=1S/C14H18O3/c1-3-4-10-14(16,11-17-12(2)15)13-8-6-5-7-9-13/h3-9,16H,10-11H2,1-2H3/b4-3+/t14-/m0/s1
InChIKeyKQBADRUXRGBZFR-XGACYXMMSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate?
The IUPAC name of [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate (CID 10933409) is [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate.
What is the SMILES notation for [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate?
The canonical SMILES for [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate is C/C=C/C[C@](O)(COC(C)=O)c1ccccc1.
What is the InChIKey of [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate?
The InChIKey is KQBADRUXRGBZFR-XGACYXMMSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-4-10-14(16,11-17-12(2)15)13-8-6-5-7-9-13/h3-9,16H,10-11H2,1-2H3/b4-3+/t14-/m0/s1.
What are the key properties of [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate?
[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate has a molecular weight of 234.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate is sourced from PubChem (CID 10933409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).