[(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'}

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Related Compounds

[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
CID 10777371
(E)-1-phenyl-1-trimethylsilylpent-3-en-1-ol
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aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
(E,3S)-3-amino-3-benzylhept-5-en-2-one
CID 90145324
(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
CID 174712289
[dideuterio(phenyl)methyl] acetate
CID 10796927
[(E)-but-2-enyl] benzoate
CID 5352600
[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate
CID 102413965
[(E)-1,1-bis(methylsulfanyl)pent-3-enyl]benzene
CID 134919659
(E)-2-ethyl-2-phenylhex-4-en-1-amine
CID 134877225
ethyl (Z,5R)-5-hydroxy-5-phenylhex-2-enoate
CID 11999994

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).